UCSF

ZINC12580862

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 33 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) 4.10 10.56 -12.24 1 5 0 48 448.517 6
Mid Mid (pH 6-8) 4.10 12.34 -56.5 2 5 1 50 449.525 6

Activity (Go SEA)

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