UCSF

ZINC19800214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 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) 7.67 12.16 -6.66 2 3 0 49 485.592 4
Hi High (pH 8-9.5) 7.67 13.03 -46.42 1 3 -1 52 484.584 4

Activity (Go SEA)

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