UCSF

ZINC34041551

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 23 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) -0.51 0.06 -53.42 4 6 1 91 318.349 0
Hi High (pH 8-9.5) -0.51 0.52 -31.6 3 6 0 94 317.341 0
Hi High (pH 8-9.5) -0.51 -2.28 -14.02 3 6 0 90 317.341 0

Activity (Go SEA)

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