UCSF

ZINC02045640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 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) 3.04 10.38 -37.49 1 2 1 17 267.396 5
Lo Low (pH 4.5-6) 3.04 10.79 -94.94 2 2 2 19 268.404 5

Activity (Go SEA)

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