UCSF

ZINC23280888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 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) 3.84 10.38 -30.58 1 3 1 31 268.421 5
Hi High (pH 8-9.5) 3.84 8.31 -4.62 0 3 0 30 267.413 5

Activity (Go SEA)

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