UCSF

ZINC34677200

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 33 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) 0.96 0.64 -48.65 3 10 1 111 461.539 10
Mid Mid (pH 6-8) 0.96 -1.63 -13.27 2 10 0 110 460.531 10

Activity (Go SEA)

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