UCSF

ZINC65512839

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 22 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) 1.85 5.6 -47.21 3 6 1 80 302.354 4
Hi High (pH 8-9.5) 1.85 3.86 -12.54 2 6 0 79 301.346 4

Activity (Go SEA)

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