UCSF

ZINC44265143

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 4.11 8.35 -12.63 1 3 0 42 269.373 1
Hi High (pH 8-9.5) 4.11 7.91 -46.3 0 3 -1 40 268.365 1

Activity (Go SEA)

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