UCSF

ZINC00502460

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 26 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) 4.55 12.03 -15.71 1 5 0 56 343.386 4
Lo Low (pH 4.5-6) 4.55 12.32 -28.04 2 5 1 57 344.394 4

Activity (Go SEA)

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