UCSF

ZINC35389813

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 19 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) -1.31 -0.92 -95.76 2 8 -2 138 267.241 4
Hi High (pH 8-9.5) -1.31 -1.98 -98.36 2 8 -2 138 267.241 4
Mid Mid (pH 6-8) -1.77 0.77 -48.76 3 8 -1 135 268.249 4

Activity (Go SEA)

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