UCSF

ZINC08845620

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 27 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) 3.05 3.51 -16.54 3 7 0 99 430.258 3
Hi High (pH 8-9.5) 2.85 2.49 -48.87 1 7 -1 98 429.25 3
Mid Mid (pH 6-8) 3.05 4.28 -56.45 2 7 -1 102 429.25 3

Activity (Go SEA)

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