UCSF

ZINC04146868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 No

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) 3.87 5.9 -8.87 3 6 0 97 372.428 4
Mid Mid (pH 6-8) 3.87 5.24 -8.88 3 6 0 97 372.428 4
Lo Low (pH 4.5-6) 3.87 5.63 -47.38 4 6 1 99 373.436 4

Activity (Go SEA)

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