UCSF

ZINC35389812

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 -0.99 -96.07 2 8 -2 138 267.241 4
Hi High (pH 8-9.5) -1.31 -1.91 -97.96 2 8 -2 138 267.241 4
Mid Mid (pH 6-8) -1.77 0.84 -48.09 3 8 -1 135 268.249 4

Activity (Go SEA)

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