UCSF

ZINC36876728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 2.53 7.17 -90.34 5 4 2 67 289.423 8
Mid Mid (pH 6-8) 2.53 6.74 -48.11 4 4 1 66 288.415 8

Activity (Go SEA)

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