UCSF

ZINC19394421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.02 7.01 -52.1 3 3 1 45 216.308 4
Hi High (pH 8-9.5) 0.02 6.69 -6.8 2 3 0 44 215.3 4
Mid Mid (pH 6-8) 0.02 7.5 -117.22 4 3 2 47 217.316 4

Activity (Go SEA)

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