UCSF

ZINC20114358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 30 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) 5.04 8.64 -33.11 2 6 1 59 425.94 4
Mid Mid (pH 6-8) 5.04 10.84 -47.35 2 6 1 59 425.94 4
Mid Mid (pH 6-8) 5.04 8.37 -16.22 1 6 0 58 424.932 4

Activity (Go SEA)

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