UCSF

ZINC42313292

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 0.53 4.04 -88.83 4 4 2 50 227.352 4
Mid Mid (pH 6-8) 0.72 1.7 -43.22 3 4 1 56 226.344 4

Activity (Go SEA)

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