UCSF

ZINC31322924

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 21 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) 2.93 3.48 -15.96 2 5 0 71 286.331 5
Hi High (pH 8-9.5) 2.93 4.5 -59.88 1 5 -1 74 285.323 5

Activity (Go SEA)

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