UCSF

ZINC34965911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 5.17 15.13 -100.4 3 4 2 46 493.091 9
Mid Mid (pH 6-8) 5.17 12.82 -40.54 2 4 1 45 492.083 9

Activity (Go SEA)

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