UCSF

ZINC19782388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 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) 1.44 5.25 -9.42 0 4 0 36 261.369 4
Mid Mid (pH 6-8) 1.44 5.63 -39.47 1 4 1 38 262.377 4
Lo Low (pH 4.5-6) 1.44 7.92 -118.93 2 4 2 39 263.385 4

Activity (Go SEA)

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