UCSF

ZINC08964853

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2007 31 No

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) 1.19 0.63 -21.75 6 12 0 173 429.437 7
Mid Mid (pH 6-8) 1.19 0.85 -55.55 6 12 0 176 429.437 7
Lo Low (pH 4.5-6) 1.19 0.93 -38.29 7 12 1 174 430.445 7
Lo Low (pH 4.5-6) 1.19 -3.44 -39.21 7 12 1 174 430.445 7

Activity (Go SEA)

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