UCSF

ZINC36798325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.44 1.52 -31.85 4 5 1 63 280.392 6
Mid Mid (pH 6-8) 0.44 -0.74 -6.58 3 5 0 62 279.384 6

Activity (Go SEA)

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