UCSF

ZINC09631971

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2007 32 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) 2.44 11.42 -19.5 1 9 0 100 433.468 8
Mid Mid (pH 6-8) 2.44 0.51 -57.39 2 9 1 101 434.476 8

Activity (Go SEA)

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