UCSF

ZINC36358419

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 28 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) 2.92 7.66 -13.8 1 7 0 86 377.4 5
Ref Reference (pH 7) 2.73 10.33 -14.27 1 7 0 82 377.4 5
Mid Mid (pH 6-8) 2.73 10.79 -51.35 2 7 1 84 378.408 5

Activity (Go SEA)

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