UCSF

ZINC37145741

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 15 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) 1.79 5.59 -38.49 1 3 1 31 208.329 1
Mid Mid (pH 6-8) 1.79 5.14 -35.98 1 3 1 31 208.329 1
Mid Mid (pH 6-8) 1.79 3.22 -5.81 0 3 0 30 207.321 1

Activity (Go SEA)

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