UCSF

ZINC12404629

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2008 19 Yes

Other Names:

MFCD08752798

QA-0590

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) 1.70 1.58 -19.95 0 5 0 49 255.277 3
Mid Mid (pH 6-8) 1.70 1.85 -36.03 1 5 1 50 256.285 3

Activity (Go SEA)

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

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