UCSF

ZINC34829927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 2.89 12.36 -13.01 0 7 0 70 501.624 8
Mid Mid (pH 6-8) 2.89 14.07 -49.14 1 7 1 71 502.632 8

Activity (Go SEA)

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