UCSF

ZINC34983488

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 No

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) 0.87 12.26 -34.65 2 5 1 61 380.475 4
Mid Mid (pH 6-8) 0.87 11.92 -25.86 1 5 0 60 379.467 4

Activity (Go SEA)

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