UCSF

ZINC37803758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.68 2.46 -58.52 4 6 1 94 281.361 5
Hi High (pH 8-9.5) -0.22 -0.32 -80.2 3 6 0 97 280.353 5

Activity (Go SEA)

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