UCSF

ZINC34697572

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 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) 3.57 13.54 -56.61 1 4 1 38 387.503 4
Mid Mid (pH 6-8) 3.57 11.33 -15.68 0 4 0 37 386.495 4

Activity (Go SEA)

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