UCSF

ZINC35894854

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 2.98 9.75 -56.93 2 8 1 92 417.53 7
Mid Mid (pH 6-8) 2.98 7.4 -13.78 1 8 0 91 416.522 7

Activity (Go SEA)

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