UCSF

ZINC19915829

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 2.36 -0.11 -16.24 4 5 0 92 292.36 4
Hi High (pH 8-9.5) 2.36 0.68 -51.23 3 5 -1 95 291.352 4

Activity (Go SEA)

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