UCSF

ZINC00448082

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 19 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) 4.10 10.53 -41.88 1 2 1 9 275.803 1
Mid Mid (pH 6-8) 4.10 8.38 -5.02 0 2 0 8 274.795 1

Activity (Go SEA)

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