UCSF

ZINC20199274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.29 -0.44 -42.59 4 5 1 76 256.322 8
Hi High (pH 8-9.5) 1.29 0.35 -52.84 3 5 0 78 255.314 8

Activity (Go SEA)

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