UCSF

ZINC36276614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 2.53 8.99 -52.01 2 5 1 50 377.299 3
Lo Low (pH 4.5-6) 2.53 9.45 -99.33 3 5 2 51 378.307 3

Activity (Go SEA)

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