UCSF

ZINC09650428

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 29 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) 3.74 -1.34 -16.84 1 7 0 82 412.467 8
Mid Mid (pH 6-8) 3.74 -1.09 -43.05 2 7 1 84 413.475 8

Activity (Go SEA)

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