UCSF

ZINC37825355

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) -0.11 1.03 -41.62 5 7 1 117 272.325 6
Hi High (pH 8-9.5) -0.11 0.69 -17.98 4 7 0 116 271.317 6

Activity (Go SEA)

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