UCSF

ZINC51364298

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2010 36 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) 1.03 15.8 -64.91 1 8 1 76 499.607 7
Mid Mid (pH 6-8) 1.03 13.59 -22.3 0 8 0 75 498.599 7

Activity (Go SEA)

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