UCSF

ZINC47278180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 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) 2.82 9.12 -12.91 0 4 0 42 349.228 5
Lo Low (pH 4.5-6) 2.82 9.58 -44.01 1 4 1 44 350.236 5

Activity (Go SEA)

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