UCSF

ZINC69566129

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 22 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) -0.25 7.86 -104.7 2 6 2 49 312.458 4
Hi High (pH 8-9.5) -0.25 5.68 -44.94 1 6 1 48 311.45 4

Activity (Go SEA)

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