UCSF

ZINC09235947

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 30 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) 3.90 10.51 -53.2 0 8 -1 119 485.295 5
Mid Mid (pH 6-8) 3.31 -0.72 -17.43 0 8 0 113 486.303 5
Lo Low (pH 4.5-6) 3.90 9.69 -19.01 1 8 0 116 486.303 5

Activity (Go SEA)

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