UCSF

ZINC20122108

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.27 4.68 -38.03 2 4 1 36 280.436 7
Hi High (pH 8-9.5) 2.27 5.78 -35.17 2 4 1 33 280.436 7
Mid Mid (pH 6-8) 2.27 6.91 -105.21 3 4 2 37 281.444 7
Mid Mid (pH 6-8) 2.27 6.64 -111 3 4 2 37 281.444 7
Lo Low (pH 4.5-6) 2.27 8.86 -196.66 4 4 3 39 282.452 7

Activity (Go SEA)

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