UCSF

ZINC21813965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 3.91 10.55 -35.33 2 2 1 16 354.356 7
Hi High (pH 8-9.5) 3.91 9.68 -43.07 2 2 1 20 354.356 7

Activity (Go SEA)

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