UCSF

ZINC95743591

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 13 No

Other Names:

MFCD00168692

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) -1.01 1.59 -10.75 2 3 0 55 174.203 2
Mid Mid (pH 6-8) -1.01 1.99 -53.13 3 3 1 57 175.211 2

Activity (Go SEA)

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

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