UCSF

ZINC55099408

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 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) 3.39 9.95 -42.61 1 4 1 30 373.492 6
Mid Mid (pH 6-8) 3.39 9.48 -49.04 1 4 1 30 373.492 6

Activity (Go SEA)

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