UCSF

ZINC24981488

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 29 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) 3.52 7.78 -38.13 2 5 1 38 396.555 8
Lo Low (pH 4.5-6) 3.52 9.18 -138.45 3 5 2 43 397.563 8

Activity (Go SEA)

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