UCSF

ZINC02721485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 21 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) 2.02 -1.28 -16.45 1 5 0 56 289.379 8
Mid Mid (pH 6-8) -1.39 -1.11 -38.36 2 5 1 58 290.387 8

Activity (Go SEA)

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