UCSF

ZINC24100928

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 21 No

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) 2.54 4.3 -45.34 1 7 -1 115 311.27 4
Hi High (pH 8-9.5) 2.54 4.37 -85.67 0 7 -2 117 310.262 4
Lo Low (pH 4.5-6) 2.54 3.35 -12.61 2 7 0 112 312.278 4

Activity (Go SEA)

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