UCSF

ZINC34681022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 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) 4.16 12.97 -15.33 1 6 0 66 442.563 6
Lo Low (pH 4.5-6) 4.16 13.26 -46.1 2 6 1 67 443.571 6

Activity (Go SEA)

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