UCSF

ZINC23248576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 28 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) 2.68 6.83 -34.93 2 6 1 55 384.5 8
Hi High (pH 8-9.5) 2.68 4.54 -11.8 1 6 0 54 383.492 8

Activity (Go SEA)

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