UCSF

ZINC44722859

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 18 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) 2.91 7.6 -32.11 2 2 1 16 314.222 4
Hi High (pH 8-9.5) 2.91 5.27 -2.06 1 2 0 15 313.214 4
Lo Low (pH 4.5-6) 2.91 8.83 -108.3 3 2 2 21 315.23 4

Activity (Go SEA)

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