UCSF

ZINC36322515

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 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) 2.93 6.74 -55.68 3 5 1 63 350.32 4
Lo Low (pH 4.5-6) 2.93 7.21 -106.93 4 5 2 65 351.328 4

Activity (Go SEA)

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