UCSF

ZINC44136151

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.89 7.4 -48.46 3 4 1 57 291.415 3
Hi High (pH 8-9.5) 2.89 6.73 -7.12 2 4 0 56 290.407 3

Activity (Go SEA)

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