UCSF

ZINC37049558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.82 3.28 -114.05 5 5 2 64 300.491 8
Hi High (pH 8-9.5) 0.82 1.23 -6.63 3 5 0 62 298.475 8
Hi High (pH 8-9.5) 0.82 1.62 -48.13 4 5 1 63 299.483 8
Mid Mid (pH 6-8) 0.82 3.85 -95.33 5 5 2 64 300.491 8

Activity (Go SEA)

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