UCSF

ZINC21055247

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 3.73 9.34 -34.76 2 2 1 16 303.495 8
Mid Mid (pH 6-8) 3.73 8.16 -40.65 2 2 1 20 303.495 8
Mid Mid (pH 6-8) 3.73 6.88 -1.83 1 2 0 15 302.487 8

Activity (Go SEA)

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