UCSF

ZINC34994334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 3.91 10.12 -60.89 2 4 1 62 291.758 5
Mid Mid (pH 6-8) 3.91 8.76 -9.14 1 4 0 58 290.75 5

Activity (Go SEA)

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