UCSF

ZINC37051423

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 0.14 3.54 -7.95 1 3 0 30 189.262 2
Mid Mid (pH 6-8) 0.14 4.94 -40.26 2 3 1 34 190.27 2

Activity (Go SEA)

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