UCSF

ZINC31946887

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 6.72 10.5 -49.65 3 8 1 97 520.485 11
Hi High (pH 8-9.5) 5.95 10.18 -80.56 2 8 0 100 519.477 12

Activity (Go SEA)

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