UCSF

ZINC00661571

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 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) 5.03 8.11 -13.19 3 5 0 77 407.47 4
Mid Mid (pH 6-8) 5.03 8.43 -39.02 4 5 1 78 408.478 4

Activity (Go SEA)

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