UCSF

ZINC31581844

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 22 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) 3.35 6.87 -36.51 2 5 1 52 309.43 8
Hi High (pH 8-9.5) 3.35 5.09 -11.37 1 5 0 51 308.422 8

Activity (Go SEA)

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