UCSF

ZINC37338129

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 3.06 4.97 -6.02 0 3 0 30 287.812 3
Lo Low (pH 4.5-6) 3.06 7.12 -35.44 1 3 1 31 288.82 3

Activity (Go SEA)

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