UCSF

ZINC63020774

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 15 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) -0.68 -0.42 -53.21 4 7 1 96 208.249 3
Lo Low (pH 4.5-6) -0.68 0.05 -116.35 5 7 2 97 209.257 3

Activity (Go SEA)

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