UCSF

ZINC35433254

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 0.80 7.15 -59.33 0 6 -1 84 243.246 4
Mid Mid (pH 6-8) 0.80 7.62 -53.62 1 6 0 86 244.254 4

Activity (Go SEA)

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