UCSF

ZINC33779299

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 26 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) 2.03 8.75 -14.79 1 5 0 41 370.522 8
Mid Mid (pH 6-8) 2.03 11.02 -48.19 2 5 1 42 371.53 8
Lo Low (pH 4.5-6) 2.03 11.49 -111.25 3 5 2 43 372.538 8

Activity (Go SEA)

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