UCSF

ZINC49900431

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 17 No

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) -1.04 -1.02 -18.85 2 7 0 88 245.279 8
Mid Mid (pH 6-8) -1.04 1.15 -51.02 3 7 1 89 246.287 8

Activity (Go SEA)

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