UCSF

ZINC15920054

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 2.18 5.4 -64 1 6 -1 90 366.393 7
Mid Mid (pH 6-8) 2.62 4.43 -24.97 2 6 0 87 367.401 6
Mid Mid (pH 6-8) 1.60 5.43 -18.81 1 6 0 84 367.401 7

Activity (Go SEA)

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