UCSF

ZINC39853923

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 3.76 7.82 -12.86 1 4 0 55 280.327 2
Hi High (pH 8-9.5) 3.76 8.94 -65.21 0 4 -1 57 279.319 2
Hi High (pH 8-9.5) 3.76 8.12 -58.24 0 4 -1 57 279.319 2

Activity (Go SEA)

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