UCSF

ZINC08821214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 21 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) 3.67 6.65 -39.67 0 4 -1 57 359.228 3
Hi High (pH 8-9.5) 4.62 4.73 -46.83 0 4 -1 61 359.228 2
Lo Low (pH 4.5-6) 4.17 6.96 -49.8 2 4 1 59 361.244 2

Activity (Go SEA)

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