UCSF

ZINC12404630

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 17 Yes

Other Names:

MFCD08752799

QA-4328

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) 3.33 1.41 -16.76 0 3 0 30 264.115 1
Mid Mid (pH 6-8) 3.33 1.57 -32.62 1 3 1 31 265.123 1

Activity (Go SEA)

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

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