UCSF

ZINC34957968

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 12 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) 0.42 1.1 -6.73 2 4 0 57 168.196 4
Mid Mid (pH 6-8) 0.42 1.57 -29.77 3 4 1 59 169.204 4

Activity (Go SEA)

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