UCSF

ZINC71711341

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2011 19 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) 3.53 9.41 -4.73 0 2 0 6 252.361 2
Lo Low (pH 4.5-6) 3.53 10.17 -17.54 1 2 0 8 253.369 2

Activity (Go SEA)

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