UCSF

ZINC20247977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 2.29 4.11 -4.55 1 3 0 24 246.354 2
Lo Low (pH 4.5-6) 2.29 6.51 -35.74 2 3 1 26 247.362 2

Activity (Go SEA)

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