UCSF

ZINC19448017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 1.07 5.1 -34.58 1 3 1 21 220.34 3
Hi High (pH 8-9.5) 1.07 2.86 -3.88 0 3 0 19 219.332 3
Mid Mid (pH 6-8) 1.07 5.24 -38.06 1 3 1 21 220.34 3
Lo Low (pH 4.5-6) 1.07 5.54 -80.61 2 3 2 22 221.348 3

Activity (Go SEA)

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