UCSF

ZINC04097239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 35 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) -5.59 -16.6 -92.35 12 18 0 314 507.409 11
Mid Mid (pH 6-8) -5.59 -16.95 -75.14 11 18 -1 313 506.401 11

Activity (Go SEA)

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