UCSF

ZINC37096945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 1.62 6.05 -132.31 4 4 2 51 280.412 8
Hi High (pH 8-9.5) 1.62 4.17 -50.52 3 4 1 49 279.404 8
Mid Mid (pH 6-8) 1.62 6.64 -33.83 3 4 1 49 279.404 8

Activity (Go SEA)

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