UCSF

ZINC61819234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 16 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) 3.82 7.2 -1.3 2 2 0 29 283.213 1
Lo Low (pH 4.5-6) 3.82 7.27 -31.57 3 2 1 30 284.221 1

Activity (Go SEA)

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