UCSF

ZINC32112384

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

Other Names:

MFCD11925372

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) -0.26 3.26 -49.31 3 5 1 66 263.317 4
Mid Mid (pH 6-8) -0.26 2.87 -11.62 2 5 0 65 262.309 4

Activity (Go SEA)

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

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