UCSF

ZINC06959679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 24 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) 2.67 5.99 -16.18 2 8 0 120 324.296 3
Ref Reference (pH 7) 2.67 5.82 -17.3 2 8 0 120 324.296 3
Mid Mid (pH 6-8) 3.13 3.93 -44.68 1 8 -1 123 323.288 3
Mid Mid (pH 6-8) 3.13 4.23 -39.22 1 8 -1 123 323.288 3

Activity (Go SEA)

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