UCSF

ZINC38000601

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 20 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) 3.08 7.38 -51.12 2 4 -1 69 273.287 4
Lo Low (pH 4.5-6) 3.08 7.23 -39.92 3 4 0 71 274.295 4
Lo Low (pH 4.5-6) 3.08 7.94 -53.59 3 4 0 71 274.295 4

Activity (Go SEA)

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