UCSF

ZINC12843786

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 25 No

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) 2.88 9.4 -11.77 1 7 0 100 354.391 5
Hi High (pH 8-9.5) 3.41 9.11 -38.17 0 7 -1 102 353.383 6
Lo Low (pH 4.5-6) 3.41 10.36 -41.03 2 7 1 101 355.399 6

Activity (Go SEA)

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