UCSF

ZINC44406087

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 33 No

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) 8.16 16.26 -182.5 5 5 3 55 469.823 12
Mid Mid (pH 6-8) 8.16 13.75 -84.43 4 5 2 53 468.815 12

Activity (Go SEA)

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