UCSF

ZINC37871238

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 13 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) 0.67 4.67 -34.24 2 3 1 40 184.307 7
Hi High (pH 8-9.5) 0.67 2.58 -5.86 1 3 0 39 183.299 7
Lo Low (pH 4.5-6) 0.67 5.85 -113.57 3 3 2 45 185.315 7

Activity (Go SEA)

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