UCSF

ZINC44610589

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) -0.79 -0.3 -53.94 4 7 1 96 192.206 2
Hi High (pH 8-9.5) -0.79 -0.61 -9.06 3 7 0 94 191.198 2

Activity (Go SEA)

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