UCSF

ZINC21294891

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 1.41 4.16 -12.95 1 5 0 58 288.376 3
Mid Mid (pH 6-8) 1.41 6.44 -44.98 2 5 1 59 289.384 3

Activity (Go SEA)

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