UCSF

ZINC36239729

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 2.14 8.56 -51.99 2 5 1 50 342.854 3
Lo Low (pH 4.5-6) 2.14 8.51 -83.15 3 5 2 51 343.862 3

Activity (Go SEA)

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