UCSF

ZINC04155608

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 31 Yes

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) 5.68 -0.01 -11.17 1 3 0 38 432.564 9
Mid Mid (pH 6-8) 5.68 0.24 -34.48 2 3 1 39 433.572 9

Activity (Go SEA)

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