UCSF

ZINC34547830

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 26 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) 0.28 10.59 -106.27 2 6 0 82 357.385 4
Hi High (pH 8-9.5) 0.28 9.42 -65.11 1 6 -1 77 356.377 4
Mid Mid (pH 6-8) 0.28 8.58 -61 3 6 1 79 358.393 4
Lo Low (pH 4.5-6) -2.46 8.61 -84.1 3 6 1 85 358.393 3

Activity (Go SEA)

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