UCSF

ZINC36003932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2009 33 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) 3.30 6.86 -19.2 2 10 0 103 459.547 8
Mid Mid (pH 6-8) 3.30 8.54 -52.99 3 10 1 105 460.555 8

Activity (Go SEA)

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