UCSF

ZINC36732041

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.49 -0.96 -49.64 4 5 1 69 246.375 9
Mid Mid (pH 6-8) -0.49 0.67 -32.18 4 5 1 69 246.375 9

Activity (Go SEA)

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