UCSF

ZINC36876353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 3.02 8.15 -43.85 3 3 1 45 270.4 3
Lo Low (pH 4.5-6) 3.02 8.59 -102.27 4 3 2 47 271.408 3

Activity (Go SEA)

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