UCSF

ZINC19844593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.06 2.71 -46.88 1 5 -1 74 229.643 5
Lo Low (pH 4.5-6) 1.06 3.07 -43.86 2 5 0 76 230.651 5

Activity (Go SEA)

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