UCSF

ZINC62973807

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.07 1.83 -36.78 2 4 1 32 256.414 6
Mid Mid (pH 6-8) 1.07 4.35 -104.16 3 4 2 34 257.422 6
Mid Mid (pH 6-8) 1.07 4.04 -83.14 3 4 2 34 257.422 6
Lo Low (pH 4.5-6) 1.07 6.56 -190.88 4 4 3 35 258.43 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.