UCSF

ZINC13718422

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 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) 2.93 6.36 -4.26 1 2 0 25 226.323 5
Lo Low (pH 4.5-6) 2.93 8.01 -112.48 3 2 2 31 228.339 5

Activity (Go SEA)

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