UCSF

ZINC45628424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 No

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) 1.68 5.76 -4.72 2 3 0 52 239.34 7
Hi High (pH 8-9.5) 1.68 6.3 -41.58 2 3 -1 52 238.332 7
Mid Mid (pH 6-8) 1.68 6.07 -41 3 3 1 54 240.348 7

Activity (Go SEA)

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