UCSF

ZINC03196934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 23 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) 4.68 4.02 -21.44 3 6 0 91 444.079 4
Hi High (pH 8-9.5) 4.68 5.83 -106.74 1 6 -2 97 442.063 4
Mid Mid (pH 6-8) 4.68 4.8 -59.03 2 6 -1 94 443.071 4

Activity (Go SEA)

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