UCSF

ZINC36874248

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 20 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) 2.82 8.49 -48.62 3 3 1 45 270.4 4
Mid Mid (pH 6-8) 2.82 8.93 -97.56 4 3 2 47 271.408 4

Activity (Go SEA)

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