UCSF

ZINC34978502

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 11 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) -0.15 1.92 -94.99 4 3 2 41 160.261 5
Mid Mid (pH 6-8) -0.15 2.46 -39.21 3 3 1 44 159.253 5

Activity (Go SEA)

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