UCSF

ZINC21794403

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 2.81 6.42 -39.59 3 7 1 81 356.45 5
Mid Mid (pH 6-8) 2.81 6.25 -37.17 3 7 1 81 356.45 5
Mid Mid (pH 6-8) 2.81 5.98 -13.37 2 7 0 79 355.442 5

Activity (Go SEA)

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