UCSF

ZINC21528296

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 34 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) 4.68 14.73 -51.95 2 6 1 64 474.654 11
Hi High (pH 8-9.5) 4.68 12.42 -16.86 1 6 0 63 473.646 11

Activity (Go SEA)

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