UCSF

ZINC37078425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.95 4.56 -39.02 3 2 1 31 247.284 5
Lo Low (pH 4.5-6) 1.95 5.98 -116.31 4 2 2 32 248.292 5

Activity (Go SEA)

Rings

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