UCSF

ZINC19874624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.50 3.87 -15.38 3 4 0 67 288.734 1
Mid Mid (pH 6-8) 2.50 4.53 -47.95 2 4 -1 69 287.726 1

Activity (Go SEA)

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