UCSF

ZINC34824249

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 13 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) 0.32 4.19 -38.61 2 4 1 38 183.279 3
Hi High (pH 8-9.5) 0.32 2.67 -5.1 1 4 0 33 182.271 3
Lo Low (pH 4.5-6) 0.32 4.31 -89.33 3 4 2 39 184.287 3

Activity (Go SEA)

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