UCSF

ZINC02639152

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 19 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) 2.55 8.25 -39.76 2 2 1 25 254.353 3
Mid Mid (pH 6-8) 2.55 5.93 -5.04 1 2 0 23 253.345 3

Activity (Go SEA)

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