UCSF

ZINC24887402

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 1.42 6.97 -120.49 3 4 2 37 316.493 4
Mid Mid (pH 6-8) 1.42 8.18 -87.62 3 4 2 34 316.493 4
Lo Low (pH 4.5-6) 1.42 9.35 -199.01 4 4 3 38 317.501 4

Activity (Go SEA)

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