UCSF

ZINC41720736

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 19 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) 2.94 8.06 -79.95 3 3 2 31 257.381 4
Hi High (pH 8-9.5) 2.94 7.64 -43.5 2 3 1 29 256.373 4

Activity (Go SEA)

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