UCSF

ZINC19666009

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) 0.90 2.25 -8.25 2 3 0 59 198.172 3
Lo Low (pH 4.5-6) 0.90 2.66 -56.59 3 3 1 61 199.18 3

Activity (Go SEA)

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