UCSF

ZINC03921120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 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) 2.05 7.39 -9.55 0 3 0 43 212.204 0
Hi High (pH 8-9.5) 2.88 6.46 -49.23 0 3 -1 53 211.196 0
Mid Mid (pH 6-8) 2.88 5.71 -12.44 1 3 0 50 212.204 0

Activity (Go SEA)

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