UCSF

ZINC21784954

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.17 5.1 -41.51 1 5 -1 78 336.343 3
Mid Mid (pH 6-8) 2.71 6.2 -11.95 2 5 0 75 337.351 3
Mid Mid (pH 6-8) 2.71 5.63 -16.63 2 5 0 75 337.351 3

Activity (Go SEA)

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