UCSF

ZINC45230236

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 33 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) 5.54 11.2 -8.03 2 4 0 51 439.555 11
Mid Mid (pH 6-8) 5.54 12.59 -46.85 3 4 1 55 440.563 11

Activity (Go SEA)

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