UCSF

ZINC37985964

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 0.89 3.21 -49.41 3 6 1 76 311.793 4
Mid Mid (pH 6-8) 0.89 1.03 -16.45 2 6 0 74 310.785 4

Activity (Go SEA)

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