UCSF

ZINC36273301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 28 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) 1.71 7.22 -18.99 2 7 0 76 379.464 4
Mid Mid (pH 6-8) 1.71 7.63 -30.68 3 7 1 77 380.472 4
Lo Low (pH 4.5-6) 1.71 8.8 -94.88 4 7 2 79 381.48 4

Activity (Go SEA)

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