UCSF

ZINC08706206

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 3.56 -0.34 -9.53 0 7 0 74 379.203 2
Mid Mid (pH 6-8) 3.56 0.57 -33.42 1 7 1 75 380.211 2

Activity (Go SEA)

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