UCSF

ZINC45593597

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2010 26 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) 4.21 10.85 -44.15 2 4 1 37 390.96 5
Mid Mid (pH 6-8) 4.21 8.49 -10.37 1 4 0 36 389.952 5

Activity (Go SEA)

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