UCSF

ZINC12692894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 20 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) 4.15 8.23 -9 1 2 0 29 340.167 3
Lo Low (pH 4.5-6) 4.22 6.67 -36.11 2 2 1 34 341.175 3

Activity (Go SEA)

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