UCSF

ZINC34685401

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 24 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) 2.07 4.96 -9.37 1 5 0 48 342.468 6
Mid Mid (pH 6-8) 2.07 7.2 -50.61 2 5 1 50 343.476 6

Activity (Go SEA)

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