UCSF

ZINC95708213

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2014 10 Yes

Other Names:

MFCD15143403

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) -1.22 0.58 -44.44 3 4 1 66 135.15 0
Hi High (pH 8-9.5) -1.22 -0.41 -41.11 1 4 -1 62 133.134 0
Mid Mid (pH 6-8) -1.22 -0.47 -10.58 2 4 0 64 134.142 0

Activity (Go SEA)

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

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