UCSF

ZINC04382410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 24 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) 6.83 12.96 -7.84 1 3 0 29 329.532 8
Mid Mid (pH 6-8) 6.83 13.4 -24.07 2 3 1 31 330.54 8

Activity (Go SEA)

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