UCSF

ZINC36869670

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 No

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 0.16 -56.18 3 4 1 65 261.411 3
Mid Mid (pH 6-8) 0.44 1.86 -134.88 4 4 2 66 262.419 3

Activity (Go SEA)

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