UCSF

ZINC36232338

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.62 5.97 -44.67 3 3 1 40 277.432 4
Hi High (pH 8-9.5) 1.62 5.2 -2.74 2 3 0 38 276.424 4
Lo Low (pH 4.5-6) 1.62 7.56 -132.24 4 3 2 41 278.44 4

Activity (Go SEA)

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