UCSF

ZINC38283679

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2010 15 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) 3.19 9.04 -48.23 0 2 -1 40 203.261 5
Lo Low (pH 4.5-6) 3.19 7.06 -5.21 1 2 0 37 204.269 5

Activity (Go SEA)

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