UCSF

ZINC00633701

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 23 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) 4.34 13.35 -12.65 0 4 0 43 418.213 2
Mid Mid (pH 6-8) 4.35 14.26 -49.52 2 4 1 47 419.221 2

Activity (Go SEA)

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