UCSF

ZINC25758367

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 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) 2.88 9.66 -44.44 1 4 1 40 356.486 4
Hi High (pH 8-9.5) 2.88 7.82 -6.4 0 4 0 39 355.478 4

Activity (Go SEA)

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