UCSF

ZINC24562641

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 23 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) 4.49 9.29 -22.97 1 4 0 51 350.802 4
Hi High (pH 8-9.5) 4.67 8.2 -46.53 0 4 -1 58 349.794 4

Activity (Go SEA)

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