UCSF

ZINC23560701

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2009 26 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) 0.38 6.33 -15.65 2 8 0 110 373.438 7
Mid Mid (pH 6-8) 0.84 4.54 -56.53 1 8 -1 113 372.43 7

Activity (Go SEA)

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