UCSF

ZINC33626402

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 27 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) 4.96 12.46 -57.06 0 6 -1 99 359.361 3
Mid Mid (pH 6-8) 4.96 12.54 -50 1 6 0 100 360.369 3

Activity (Go SEA)

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