UCSF

ZINC13758875

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 22 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) 1.55 2.6 -19.62 2 6 0 83 305.33 2
Hi High (pH 8-9.5) 1.55 3.09 -43.63 1 6 -1 86 304.322 2
Hi High (pH 8-9.5) 1.55 3.18 -50.68 1 6 -1 86 304.322 2

Activity (Go SEA)

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