UCSF

ZINC31853303

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 23 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) 2.42 7.49 -9.96 0 5 0 49 350.513 4
Mid Mid (pH 6-8) 2.42 9.88 -49.71 1 5 1 51 351.521 4

Activity (Go SEA)

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