UCSF

ZINC34667461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 37 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) 5.93 15.24 -14.42 1 4 0 42 494.61 8
Mid Mid (pH 6-8) 5.93 17.2 -42.3 2 4 1 43 495.618 8

Activity (Go SEA)

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