UCSF

ZINC34821747

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 23 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) -4.01 -7.41 -94.37 8 9 2 140 337.417 11
Hi High (pH 8-9.5) -4.01 -10.07 -13.34 6 9 0 138 335.401 11
Mid Mid (pH 6-8) -4.01 -9.62 -51.81 7 9 1 139 336.409 11

Activity (Go SEA)

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