UCSF

ZINC24865809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 19 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) 3.28 9.31 -42.65 2 2 1 40 255.316 4
Hi High (pH 8-9.5) 3.28 8.17 -9.6 1 2 0 36 254.308 4

Activity (Go SEA)

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