UCSF

ZINC13569080

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 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) 3.70 12.35 -42.34 1 3 1 30 321.444 7
Lo Low (pH 4.5-6) 3.70 12.63 -101.64 2 3 2 32 322.452 7

Activity (Go SEA)

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