UCSF

ZINC14966378

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 38 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) 4.20 13.6 -49.68 1 7 1 55 512.678 9
Hi High (pH 8-9.5) 4.20 11.15 -12.95 0 7 0 54 511.67 9

Activity (Go SEA)

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