UCSF

ZINC43966128

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 1.40 3.95 -31.98 2 5 1 48 299.435 5
Hi High (pH 8-9.5) 1.40 3.23 -4.03 1 5 0 43 298.427 5
Hi High (pH 8-9.5) 1.40 5.2 -33.58 2 5 1 44 299.435 5

Activity (Go SEA)

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