UCSF

ZINC40059281

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 27 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) 2.79 9.26 -18.93 1 8 0 99 423.545 9
Hi High (pH 8-9.5) 2.98 8.05 -51.31 0 8 -1 105 422.537 9

Activity (Go SEA)

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