UCSF

ZINC22695128

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 23 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) 1.67 7.22 -48.76 2 5 1 54 385.257 4
Hi High (pH 8-9.5) 1.67 4.99 -13.47 1 5 0 53 384.249 4

Activity (Go SEA)

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