UCSF

ZINC00883881

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 27 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) 3.55 0.02 -16.07 1 6 0 57 367.449 6
Mid Mid (pH 6-8) 3.55 0.2 -27.3 2 6 1 58 368.457 6

Activity (Go SEA)

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