UCSF

ZINC12572597

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 26 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) 1.42 4.4 -12.16 3 7 0 100 371.466 7
Lo Low (pH 4.5-6) 1.42 4.68 -41.27 4 7 1 101 372.474 7

Activity (Go SEA)

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