UCSF

ZINC41051530

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 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) 2.24 5.95 -120.88 4 2 2 32 222.376 5
Hi High (pH 8-9.5) 2.24 6.56 -28.69 3 2 1 30 221.368 5
Mid Mid (pH 6-8) 2.24 4.81 -46.4 3 2 1 31 221.368 5

Activity (Go SEA)

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