UCSF

ZINC50065224

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) 0.00 4.95 -33.32 1 5 1 49 226.3 7
Hi High (pH 8-9.5) 0.00 4.7 -11.8 0 5 0 47 225.292 7
Mid Mid (pH 6-8) 0.00 7.22 -108.31 2 5 2 50 227.308 7
Lo Low (pH 4.5-6) 0.00 7.04 -45.21 1 5 1 49 226.3 7

Activity (Go SEA)

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