UCSF

ZINC57681613

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 27 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) 3.44 6.87 -51.6 2 5 1 48 371.501 9
Mid Mid (pH 6-8) 3.44 5.52 -6.72 1 5 0 43 370.493 9
Lo Low (pH 4.5-6) 3.44 9.05 -132.12 3 5 2 49 372.509 9

Activity (Go SEA)

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