UCSF

ZINC36239542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 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) 4.70 8.92 -49.73 0 4 -1 57 340.573 2
Lo Low (pH 4.5-6) 4.70 9.16 -43.95 1 4 0 59 341.581 2

Activity (Go SEA)

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