UCSF

ZINC00629191

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 26 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) 2.52 -2 -7.15 1 7 0 75 355.442 6
Mid Mid (pH 6-8) 2.52 -1.75 -37.94 2 7 1 77 356.45 6

Activity (Go SEA)

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