UCSF

ZINC00516948

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

Other Names:

MFCD01413589

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) 3.96 -2.35 -8.74 1 4 0 55 305.399 5
Hi High (pH 8-9.5) 3.96 -1.88 -41.61 0 4 -1 57 304.391 5

Activity (Go SEA)

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