UCSF

ZINC27979781

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2009 23 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) 2.35 9.93 -101.63 2 5 2 42 321.465 5
Mid Mid (pH 6-8) 2.35 7.61 -45.1 1 5 1 41 320.457 5

Activity (Go SEA)

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