UCSF

ZINC44678496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 3.09 10.78 -57.58 0 4 -1 58 277.303 3
Mid Mid (pH 6-8) 3.09 11.27 -57.88 1 4 0 59 278.311 3

Activity (Go SEA)

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