UCSF

ZINC37269485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 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) 1.58 3.25 -40.35 2 3 1 29 209.313 6
Hi High (pH 8-9.5) 1.58 4.12 -37.54 2 3 1 26 209.313 6
Lo Low (pH 4.5-6) 1.58 5.57 -115.78 3 3 2 30 210.321 6

Activity (Go SEA)

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