UCSF

ZINC03662018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 13 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.54 -4.6 -10.74 4 8 0 104 182.143 0
Mid Mid (pH 6-8) -0.36 -5.56 -18.59 4 8 0 111 182.143 0
Mid Mid (pH 6-8) -0.36 -6.57 -28.97 3 8 -1 109 181.135 0
Lo Low (pH 4.5-6) -0.36 -4.58 -39.81 5 8 1 109 183.151 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )