UCSF

ZINC11820627

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.84 -3.98 -56.56 1 10 1 98 383.436 4
Lo Low (pH 4.5-6) 0.84 -3.87 -123.25 2 10 2 99 384.444 4

Activity (Go SEA)

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