UCSF

ZINC41732031

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) -0.02 5.1 -43.03 4 3 1 53 257.357 3
Hi High (pH 8-9.5) -0.02 4.78 -6.18 3 3 0 51 256.349 3

Activity (Go SEA)

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