UCSF

ZINC34990022

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.18 8.82 -36.28 1 3 1 25 275.416 6
Mid Mid (pH 6-8) 3.18 6.54 -6.68 0 3 0 24 274.408 6
Mid Mid (pH 6-8) 3.18 8.75 -38.83 1 3 1 25 275.416 6

Activity (Go SEA)

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