UCSF

ZINC34964129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) -0.01 2.25 -8.85 2 5 0 72 247.298 4
Mid Mid (pH 6-8) -0.01 4.6 -46.93 3 5 1 73 248.306 4

Activity (Go SEA)

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