UCSF

ZINC24901020

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 25 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) 3.50 8.99 -16.57 2 6 0 80 330.347 3
Hi High (pH 8-9.5) 3.50 9.88 -60.62 1 6 -1 83 329.339 3
Mid Mid (pH 6-8) 3.50 9.47 -44.65 3 6 1 81 331.355 3

Activity (Go SEA)

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