UCSF

ZINC35848450

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 29 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) 3.52 9.24 -8.86 0 5 0 58 388.467 3
Ref Reference (pH 7) 3.52 9.48 -22.02 0 5 0 58 388.467 3
Mid Mid (pH 6-8) 3.52 11.85 -51.37 1 5 1 59 389.475 3

Activity (Go SEA)

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