UCSF

ZINC12539608

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 19 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) 1.98 5.63 -15.1 1 4 0 53 256.305 3
Lo Low (pH 4.5-6) 1.98 5.91 -36.98 2 4 1 55 257.313 3

Activity (Go SEA)

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