UCSF

ZINC59484701

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 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) 0.94 4.9 -43.16 3 5 1 74 269.365 4
Hi High (pH 8-9.5) 0.94 4.58 -8.91 2 5 0 73 268.357 4

Activity (Go SEA)

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