UCSF

ZINC37221694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 3.28 8.13 -93.05 3 3 2 24 285.52 8
Hi High (pH 8-9.5) 3.28 7.1 -30.73 2 3 1 20 284.512 8
Mid Mid (pH 6-8) 3.28 10.01 -82.12 3 3 2 21 285.52 8
Mid Mid (pH 6-8) 3.28 10.14 -193.65 4 3 3 25 286.528 8

Activity (Go SEA)

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