UCSF

ZINC36769768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 3.86 6.87 -7.83 0 3 0 36 264.413 4
Mid Mid (pH 6-8) 3.86 8.85 -43.58 1 3 1 37 265.421 4

Activity (Go SEA)

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