UCSF

ZINC42172829

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.36 9.11 -37.26 3 3 1 45 284.427 5
Mid Mid (pH 6-8) 3.36 9.56 -106.18 4 3 2 47 285.435 5

Activity (Go SEA)

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