UCSF

ZINC19965867

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 15 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.54 2.22 -55.97 1 5 -1 74 229.643 5
Lo Low (pH 4.5-6) 1.54 2.69 -35.95 2 5 0 76 230.651 5

Activity (Go SEA)

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