UCSF

ZINC04317747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 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) 3.04 8.05 -13.11 1 5 0 53 323.396 4
Ref Reference (pH 7) 3.04 8.06 -13.1 1 5 0 53 323.396 4
Mid Mid (pH 6-8) 3.04 8.83 -23.79 2 5 0 54 324.404 4
Mid Mid (pH 6-8) 3.04 8.82 -23.85 2 5 0 54 324.404 4

Activity (Go SEA)

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