UCSF

ZINC20566786

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 21 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) 5.11 9.35 -35.26 2 2 1 20 297.551 8
Mid Mid (pH 6-8) 5.11 11.49 -124.87 3 2 2 21 298.559 8

Activity (Go SEA)

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