UCSF

ZINC37051410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.01 4.37 -36.53 2 4 1 34 223.344 4
Hi High (pH 8-9.5) 0.01 1.9 -5.6 1 4 0 33 222.336 4
Mid Mid (pH 6-8) 0.01 3.27 -39.68 2 4 1 38 223.344 4
Mid Mid (pH 6-8) 0.01 5.77 -115.14 3 4 2 39 224.352 4
Lo Low (pH 4.5-6) 0.01 4.73 -79.17 3 4 2 36 224.352 4

Activity (Go SEA)

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