UCSF

ZINC29064350

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 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) 3.70 11.8 -59.89 2 7 1 70 477.581 9
Mid Mid (pH 6-8) 3.70 9.48 -19.49 1 7 0 69 476.573 9

Activity (Go SEA)

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