UCSF

ZINC36993202

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.01 7.1 -34.78 2 3 1 34 276.429 4
Hi High (pH 8-9.5) 2.01 6.51 -6.36 1 3 0 30 275.421 4
Lo Low (pH 4.5-6) 2.01 7.26 -95.86 3 3 2 36 277.437 4

Activity (Go SEA)

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