UCSF

ZINC05154554

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 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) 2.71 7.44 -11.62 2 5 0 71 258.325 4
Mid Mid (pH 6-8) 3.16 5.09 -43.9 1 5 -1 74 257.317 4

Activity (Go SEA)

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