UCSF

ZINC13735417

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 14 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) 2.12 6.4 -107.92 4 2 2 33 200.37 7
Hi High (pH 8-9.5) 2.12 4.99 -40.03 3 2 1 29 199.362 7
Hi High (pH 8-9.5) 2.12 5.15 -36.26 3 2 1 29 199.362 7

Activity (Go SEA)

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