UCSF

ZINC09967776

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2007 23 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) 3.86 -0.67 -12.27 1 3 0 41 322.433 5
Lo Low (pH 4.5-6) 3.86 -0.53 -42.86 2 3 1 43 323.441 5

Activity (Go SEA)

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