UCSF

ZINC59877262

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 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) 5.48 9.87 -125.5 6 3 2 64 434.753 10
Hi High (pH 8-9.5) 5.48 9.5 -46.64 5 3 1 63 433.745 10

Activity (Go SEA)

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