UCSF

ZINC23371108

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 23 Yes

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) 3.92 7.15 -13.51 1 4 0 59 326.421 3
Mid Mid (pH 6-8) 3.92 7.16 -60.75 0 4 -1 61 325.413 3
Mid Mid (pH 6-8) 3.92 7.69 -41.43 1 4 0 62 326.421 3

Activity (Go SEA)

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