UCSF

ZINC12618602

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 27 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) 5.06 10.74 -23.12 1 7 0 101 441.321 6
Mid Mid (pH 6-8) 5.12 8.58 -51.82 0 7 -1 107 440.313 6

Activity (Go SEA)

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