UCSF

ZINC58331622

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 34 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) 2.92 12.45 -36.75 2 7 1 74 461.586 6
Hi High (pH 8-9.5) 2.92 10.4 -14.4 1 7 0 73 460.578 6

Activity (Go SEA)

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