UCSF

ZINC53381980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 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) 1.91 5.18 -31.16 2 3 1 26 229.388 9
Hi High (pH 8-9.5) 1.91 3.13 -2.24 1 3 0 24 228.38 9
Mid Mid (pH 6-8) 1.91 6.58 -107.72 3 3 2 30 230.396 9
Mid Mid (pH 6-8) 1.91 4.53 -36.31 2 3 1 29 229.388 9

Activity (Go SEA)

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