UCSF

ZINC44136171

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 24 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) 2.48 5.35 -50.6 3 6 1 76 337.44 5
Hi High (pH 8-9.5) 2.48 4.93 -8.29 2 6 0 74 336.432 5

Activity (Go SEA)

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