UCSF

ZINC51397360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 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) 1.50 4.46 -40.23 3 4 1 53 238.355 7
Hi High (pH 8-9.5) 1.50 4.32 -22.65 3 4 1 53 238.355 7
Hi High (pH 8-9.5) 1.50 4.42 -5.25 2 4 0 51 237.347 7
Lo Low (pH 4.5-6) 1.50 5.11 -100.51 4 4 2 54 239.363 7

Activity (Go SEA)

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