UCSF

ZINC43304428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 23 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) 2.22 8.47 -35.12 1 4 1 28 316.469 4
Mid Mid (pH 6-8) 2.22 8.39 -36.93 1 4 1 28 316.469 4
Mid Mid (pH 6-8) 2.22 6.14 -7.69 0 4 0 27 315.461 4

Activity (Go SEA)

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