UCSF

ZINC37338157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 3.50 4.52 -55.47 3 4 1 65 305.489 9
Hi High (pH 8-9.5) 3.50 4.12 -8.57 2 4 0 63 304.481 9

Activity (Go SEA)

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