UCSF

ZINC03346753

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 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) 3.47 -5.15 -18.52 2 9 0 123 503.565 6
Hi High (pH 8-9.5) 3.47 -4.59 -47.2 1 9 -1 125 502.557 6

Activity (Go SEA)

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