UCSF

ZINC43707942

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 12 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) -1.95 -3.08 -53.18 4 5 1 75 175.208 3
Hi High (pH 8-9.5) -1.95 -4.43 -11.66 3 5 0 71 174.2 3

Activity (Go SEA)

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