UCSF

ZINC42818743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 17 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) 1.92 3.81 -40.05 3 4 1 55 243.371 6
Hi High (pH 8-9.5) 1.92 2.47 -7.45 2 4 0 50 242.363 6

Activity (Go SEA)

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