UCSF

ZINC16082914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 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) 0.09 3.95 -5.4 2 3 0 46 267.126 2
Lo Low (pH 4.5-6) 0.09 4.25 -44.8 3 3 1 48 268.134 2

Activity (Go SEA)

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