UCSF

ZINC45649557

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 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) 0.62 -1.29 -11.38 2 6 0 88 280.371 6
Mid Mid (pH 6-8) 1.08 -3.59 -40.93 1 6 -1 91 279.363 6

Activity (Go SEA)

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