UCSF

ZINC38002477

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 3.09 5.38 -37.96 2 3 1 29 334.303 5
Hi High (pH 8-9.5) 3.09 4.4 -2.86 1 3 0 24 333.295 5
Lo Low (pH 4.5-6) 3.09 7.18 -118.93 3 3 2 30 335.311 5

Activity (Go SEA)

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