UCSF

ZINC02329697

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 2.71 5.56 -13.58 1 8 0 109 382.372 4
Mid Mid (pH 6-8) 2.71 6.19 -38.97 0 8 -1 112 381.364 4

Activity (Go SEA)

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