UCSF

ZINC23128053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 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) 4.10 10.67 -52.55 2 3 1 34 383.459 6
Hi High (pH 8-9.5) 4.10 8.38 -13.9 1 3 0 32 382.451 6

Activity (Go SEA)

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