UCSF

ZINC61567967

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2011 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) 1.47 4.18 -47.28 3 3 1 40 207.297 2
Lo Low (pH 4.5-6) 1.47 3.86 -29.54 3 3 1 40 207.297 2

Activity (Go SEA)

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