UCSF

ZINC45655495

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 0.98 4.06 -34.44 2 3 1 29 226.369 4
Hi High (pH 8-9.5) 0.98 1.6 -4.57 1 3 0 28 225.361 4

Activity (Go SEA)

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