UCSF

ZINC08984847

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 27 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) 3.42 5.71 -18.18 2 6 0 84 401.513 6
Mid Mid (pH 6-8) 3.88 4.47 -48.86 1 6 -1 87 400.505 6

Activity (Go SEA)

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