UCSF

ZINC44136142

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 22 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) 2.50 5.47 -55.81 3 5 1 66 307.414 4
Hi High (pH 8-9.5) 2.50 5.16 -7.09 2 5 0 65 306.406 4

Activity (Go SEA)

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