UCSF

ZINC22935570

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 28 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) 3.63 9.1 -45.51 1 5 1 47 387.406 4
Hi High (pH 8-9.5) 3.64 6.62 -11.15 0 5 0 46 386.398 4

Activity (Go SEA)

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