UCSF

ZINC36754433

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) -0.67 3.58 -47.26 3 6 1 83 240.283 2
Hi High (pH 8-9.5) -0.67 1.74 -55.15 3 6 1 83 240.283 2
Lo Low (pH 4.5-6) -0.67 3.91 -117.12 4 6 2 84 241.291 2

Activity (Go SEA)

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