UCSF

ZINC06244639

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 26 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) 2.61 4.79 -56.15 1 6 -1 90 370.385 5
Mid Mid (pH 6-8) 2.61 4.69 -18.5 2 6 0 88 371.393 5

Activity (Go SEA)

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