UCSF

ZINC58402056

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 22 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) 4.40 8.6 -105.76 3 5 2 47 315.502 9
Mid Mid (pH 6-8) 4.40 6.47 -40.11 2 5 1 46 314.494 9
Mid Mid (pH 6-8) 4.40 6.35 -37.24 2 5 1 46 314.494 9

Activity (Go SEA)

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