UCSF

ZINC60007457

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 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) 4.97 12.66 -43.38 2 5 1 52 419.545 9
Hi High (pH 8-9.5) 4.97 10.14 -12.94 1 5 0 51 418.537 9

Activity (Go SEA)

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