UCSF

ZINC26992043

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 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) 3.80 10.34 -99.73 2 2 2 9 264.457 3
Mid Mid (pH 6-8) 3.80 7.86 -33.59 1 2 1 8 263.449 3

Activity (Go SEA)

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