UCSF

ZINC33780960

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 39 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) 4.88 12.87 -46.42 0 8 -1 97 530.597 12
Lo Low (pH 4.5-6) 4.88 11.74 -20.29 1 8 0 95 531.605 12

Activity (Go SEA)

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