UCSF

ZINC15920029

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 28 No

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) 2.72 5.96 -64.4 1 6 -1 90 380.42 7
Mid Mid (pH 6-8) 3.16 4.95 -30.97 2 6 0 87 381.428 6
Mid Mid (pH 6-8) 2.13 5.92 -23.96 1 6 0 84 381.428 7

Activity (Go SEA)

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