UCSF

ZINC35680248

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 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) -2.62 0.62 -54.97 1 7 -1 93 254.266 3
Mid Mid (pH 6-8) -2.62 2.76 -51.45 2 7 0 94 255.274 3

Activity (Go SEA)

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