UCSF

ZINC07846731

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 19 Yes

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) 2.93 7.82 -42.59 2 3 1 34 279.36 5
Hi High (pH 8-9.5) 2.93 5.56 -8.82 1 3 0 32 278.352 5

Activity (Go SEA)

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