UCSF

ZINC42117986

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) 1.94 4.31 -9.37 0 5 0 52 353.216 3
Mid Mid (pH 6-8) 1.94 6.59 -50.43 1 5 1 53 354.224 3

Activity (Go SEA)

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