UCSF

ZINC44265669

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) 3.88 4.68 -46.54 3 4 1 67 280.779 5
Hi High (pH 8-9.5) 3.88 4.4 -7.36 2 4 0 65 279.771 5

Activity (Go SEA)

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