UCSF

ZINC37098202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) 0.39 2.62 -97.34 4 3 2 41 176.304 7
Hi High (pH 8-9.5) 0.39 1.2 -33.53 3 3 1 37 175.296 7
Mid Mid (pH 6-8) 0.39 3.17 -40.07 3 3 1 44 175.296 7

Activity (Go SEA)

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