UCSF

ZINC35421814

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 22 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) 0.98 6.75 -52.4 2 5 1 57 369.283 5
Mid Mid (pH 6-8) 0.98 5.46 -13.71 1 5 0 53 368.275 5

Activity (Go SEA)

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