UCSF

ZINC34957258

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 19 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) 3.42 3.18 -9.96 3 4 0 72 317.197 3
Mid Mid (pH 6-8) 3.42 3.57 -42.56 2 4 -1 74 316.189 3

Activity (Go SEA)

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