UCSF

ZINC13637485

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 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) 3.14 7.22 -15.83 1 7 0 89 390.881 4
Hi High (pH 8-9.5) 3.60 5 -43.27 0 7 -1 92 389.873 4

Activity (Go SEA)

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