UCSF

ZINC13123896

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 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) 1.81 4.4 -16.18 1 6 0 85 290.282 2
Lo Low (pH 4.5-6) 2.25 5.32 -99.12 3 6 2 87 292.298 1

Activity (Go SEA)

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