UCSF

ZINC03830609

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 1.40 2.02 -78.47 4 7 0 117 341.433 3
Mid Mid (pH 6-8) 1.40 1.75 -49.97 3 7 -1 116 340.425 3

Activity (Go SEA)

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