UCSF

ZINC13123622

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 27 No

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) 2.12 4.6 -65.14 1 6 -1 90 366.393 6
Lo Low (pH 4.5-6) 2.12 3.84 -13.89 2 6 0 87 367.401 6

Activity (Go SEA)

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