UCSF

ZINC37049702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.32 1.56 -47.26 3 5 1 54 285.456 6
Lo Low (pH 4.5-6) -0.32 2.99 -108.88 4 5 2 56 286.464 6

Activity (Go SEA)

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