UCSF

ZINC06744722

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 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) 2.88 6.37 -12.88 2 7 0 91 412.449 5
Mid Mid (pH 6-8) 2.88 7.14 -52.79 1 7 -1 94 411.441 5
Lo Low (pH 4.5-6) 2.88 6.83 -41.66 3 7 1 93 413.457 5

Activity (Go SEA)

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