UCSF

ZINC95091260

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2013 10 No

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) 1.13 5.14 -7.24 0 2 0 18 156.254 2
Hi High (pH 8-9.5) 1.13 5.68 -51.59 0 2 -1 18 155.246 2
Mid Mid (pH 6-8) 1.13 5.65 -26.28 1 2 1 19 157.262 2

Activity (Go SEA)

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

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