UCSF

ZINC40089830

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 29 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) 2.58 9.18 -48.42 2 6 1 55 398.527 9
Mid Mid (pH 6-8) 2.58 9.32 -42.84 2 6 1 55 398.527 9
Mid Mid (pH 6-8) 2.58 6.87 -9.71 1 6 0 54 397.519 9

Activity (Go SEA)

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