UCSF

ZINC06905666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 16 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) -1.21 1.15 -20.06 2 8 0 106 240.248 4
Hi High (pH 8-9.5) -1.21 0.95 -42.48 1 8 -1 104 239.24 4
Mid Mid (pH 6-8) -1.14 -0.3 -108.71 0 8 -2 110 238.232 4

Activity (Go SEA)

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