UCSF

ZINC35807993

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 36 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) 3.83 11.65 -16.07 0 7 0 66 510.635 9
Lo Low (pH 4.5-6) 3.83 13.74 -64.8 1 7 1 67 511.643 9

Activity (Go SEA)

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