UCSF

ZINC20467700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 21 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) 2.28 3.62 -49.07 4 6 1 90 380.332 9
Hi High (pH 8-9.5) 2.28 1.3 -10.27 3 6 0 88 379.324 9

Activity (Go SEA)

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