UCSF

ZINC63120106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 20 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) 2.02 9.28 -96.99 4 3 2 35 277.456 6
Mid Mid (pH 6-8) 2.02 8.46 -193.82 5 3 3 37 278.464 6
Mid Mid (pH 6-8) 2.02 9.4 -90.11 4 3 2 35 277.456 6

Activity (Go SEA)

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