UCSF

ZINC42470294

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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) 1.85 5.63 -3.21 0 1 0 3 191.299 4
Mid Mid (pH 6-8) 1.85 7.71 -34.26 1 1 1 4 192.307 4

Activity (Go SEA)

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