UCSF

ZINC02972146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 25 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) 3.00 7.35 -44.23 1 6 -1 73 362.475 9
Mid Mid (pH 6-8) 2.28 7.65 -13.66 2 6 0 76 363.483 9

Activity (Go SEA)

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