UCSF

ZINC04099786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 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) 3.44 -0.79 -41.4 3 2 1 40 241.358 3
Lo Low (pH 4.5-6) 3.44 -0.49 -112.04 4 2 2 41 242.366 3

Activity (Go SEA)

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