UCSF

ZINC00279288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 16 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) 1.97 6.28 -37.64 2 2 1 25 220.336 3
Hi High (pH 8-9.5) 1.97 4.34 -3.47 1 2 0 23 219.328 3

Activity (Go SEA)

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