UCSF

ZINC00947842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 35 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) 3.37 -2.91 -28.83 2 9 0 131 486.509 5
Hi High (pH 8-9.5) 3.37 -2.35 -66.83 1 9 -1 133 485.501 5

Activity (Go SEA)

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