UCSF

ZINC05154547

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 18 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) 2.62 4.31 -42.88 1 5 -1 74 241.274 5
Mid Mid (pH 6-8) 2.17 5.79 -11.82 2 5 0 71 242.282 5

Activity (Go SEA)

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