UCSF

ZINC12536422

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.04 7.02 -11.1 1 3 0 42 284.384 3
Lo Low (pH 4.5-6) 2.04 7.3 -42.45 2 3 1 43 285.392 3

Activity (Go SEA)

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