UCSF

ZINC55385533

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 24 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) 2.12 8.62 -34.9 1 5 1 37 334.484 8
Hi High (pH 8-9.5) 2.12 6.34 -7.57 0 5 0 36 333.476 8

Activity (Go SEA)

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