UCSF

ZINC31553441

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 31 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) 3.23 9.49 -21.23 1 5 0 53 417.484 5
Mid Mid (pH 6-8) 3.23 11.82 -57.16 2 5 1 54 418.492 5

Activity (Go SEA)

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