UCSF

ZINC71843239

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2012 25 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) 5.05 10.28 -15.55 1 4 0 59 350.443 4
Mid Mid (pH 6-8) 5.51 7.83 -55.37 0 4 -1 62 349.435 4

Activity (Go SEA)

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