UCSF

ZINC42452724

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 1.64 4.12 -40.09 2 3 1 48 197.302 5
Hi High (pH 8-9.5) 1.64 2.1 -6.74 1 3 0 47 196.294 5

Activity (Go SEA)

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