UCSF

ZINC06381461

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 28 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) 3.07 7.38 -58.34 0 6 -1 79 400.838 7
Mid Mid (pH 6-8) 3.07 0.03 -11.3 1 6 0 76 401.846 7
Mid Mid (pH 6-8) 2.49 -0.21 -10.73 0 6 0 72 401.846 7

Activity (Go SEA)

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