UCSF

ZINC35458530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 1.25 7.59 -21.96 1 8 0 82 476.577 7
Mid Mid (pH 6-8) 1.25 9.86 -55.73 2 8 1 83 477.585 7

Activity (Go SEA)

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