UCSF

ZINC22802815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 18 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) 1.64 3.51 -36.5 2 4 1 37 259.414 7
Mid Mid (pH 6-8) 1.64 1.2 -4.06 1 4 0 36 258.406 7

Activity (Go SEA)

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