UCSF

ZINC23108639

Substance Information

In ZINC since Heavy atoms Benign functionality
December 25th, 2008 29 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) 3.78 11.84 -53.25 2 5 1 51 395.502 7
Hi High (pH 8-9.5) 3.78 9.76 -11.68 1 5 0 50 394.494 7

Activity (Go SEA)

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