UCSF

ZINC04344018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 15 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) 2.23 6.08 -15.3 1 4 0 65 218.647 2
Hi High (pH 8-9.5) 2.23 5.93 -39.05 0 4 -1 64 217.639 2
Hi High (pH 8-9.5) 2.23 5.89 -39.01 0 4 -1 64 217.639 2

Activity (Go SEA)

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