UCSF

ZINC34959574

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.28 4.6 -45.78 3 3 1 34 268.812 4
Mid Mid (pH 6-8) 2.28 6.28 -131.76 4 3 2 35 269.82 4
Mid Mid (pH 6-8) 2.28 5.91 -37.01 3 3 1 34 268.812 4

Activity (Go SEA)

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