UCSF

ZINC33768580

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 4.04 11.96 -62.35 0 8 -1 97 516.57 12
Lo Low (pH 4.5-6) 4.04 10.66 -23.76 1 8 0 95 517.578 12

Activity (Go SEA)

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