UCSF

ZINC38019402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) -0.46 6.41 -116.43 0 6 -2 96 236.227 5
Hi High (pH 8-9.5) -0.46 4.09 -59.62 1 6 -1 98 237.235 5
Mid Mid (pH 6-8) -0.46 5.4 -52.8 1 6 -1 94 237.235 5

Activity (Go SEA)

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