UCSF

ZINC34681592

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.30 11.35 -19.21 1 8 0 94 485.466 7
Mid Mid (pH 6-8) 4.30 13.58 -65.87 2 8 1 95 486.474 7
Lo Low (pH 4.5-6) 4.30 13.88 -129.35 3 8 2 97 487.482 7
Lo Low (pH 4.5-6) 4.30 11.67 -48.66 2 8 1 96 486.474 7

Activity (Go SEA)

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