UCSF

ZINC35389114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 11 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) -0.86 3.27 -36.78 2 3 0 57 171.118 4
Mid Mid (pH 6-8) -0.86 2.08 -41.25 1 3 -1 52 170.11 4

Activity (Go SEA)

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