UCSF

ZINC29414961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 25 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) 4.61 6.18 -17.84 2 4 0 71 330.339 3
Mid Mid (pH 6-8) 4.61 6.98 -53.24 1 4 -1 73 329.331 3

Activity (Go SEA)

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