UCSF

ZINC34477950

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 19 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) 2.53 4.67 -40.97 3 3 1 36 256.373 3
Lo Low (pH 4.5-6) 2.53 6.96 -114.23 4 3 2 37 257.381 3

Activity (Go SEA)

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