UCSF

ZINC19901156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 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) 4.00 7.53 -39.72 2 3 1 33 289.443 7
Hi High (pH 8-9.5) 4.00 6.3 -4.3 1 3 0 28 288.435 7
Mid Mid (pH 6-8) 4.00 9.58 -111.22 3 3 2 34 290.451 7
Mid Mid (pH 6-8) 4.00 8.37 -33.38 2 3 1 30 289.443 7

Activity (Go SEA)

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