UCSF

ZINC37655112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) 0.42 -1.12 -38.92 6 5 1 100 228.316 4
Hi High (pH 8-9.5) 0.42 -1.47 -10.96 5 5 0 98 227.308 4

Activity (Go SEA)

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