UCSF

ZINC00337865

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 2.01 3.77 -5.34 0 3 0 60 185.23 1
Lo Low (pH 4.5-6) 2.01 3.96 -43.21 1 3 1 62 186.238 1

Activity (Go SEA)

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