UCSF

ZINC73542284

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2012 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.95 3.05 -182.79 15 13 3 248 490.589 12
Hi High (pH 8-9.5) -1.69 2.65 -98.35 14 13 2 242 489.581 14
Mid Mid (pH 6-8) -1.95 2.74 -98.18 14 13 2 246 489.581 12

Activity (Go SEA)

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