UCSF

ZINC34978474

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 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) 0.27 3.39 -55.95 3 4 1 47 242.387 6
Hi High (pH 8-9.5) 0.27 2.85 -81.85 4 4 2 45 243.395 6
Mid Mid (pH 6-8) 0.27 2.75 -101.51 4 4 2 45 243.395 6
Lo Low (pH 4.5-6) 0.27 5.13 -178.05 5 4 3 46 244.403 6

Activity (Go SEA)

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