UCSF

ZINC21992403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 16 No

CAS Number: 74431-23-5

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) -0.54 2.01 -93.27 3 5 0 88 240.284 2
Mid Mid (pH 6-8) -0.54 1.55 -63.52 2 5 -1 86 239.276 2

Activity (Go SEA)

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