UCSF

ZINC36829123

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.44 1.97 -40.18 1 7 -1 107 307.307 5
Mid Mid (pH 6-8) 1.44 1.79 -16.37 2 7 0 105 308.315 5

Activity (Go SEA)

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