UCSF

ZINC29433576

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 26 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) 3.67 6 -14.45 2 6 0 85 384.404 8
Hi High (pH 8-9.5) 3.67 5.99 -38.74 1 6 -1 87 383.396 8

Activity (Go SEA)

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