UCSF

ZINC35844726

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 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) 5.55 12.65 -7.35 0 4 0 21 485.594 10
Mid Mid (pH 6-8) 5.55 13.95 -46.88 1 4 1 22 486.602 10
Lo Low (pH 4.5-6) 5.55 14.89 -55.67 1 4 1 22 486.602 10

Activity (Go SEA)

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