UCSF

ZINC31964689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 27 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) 2.39 7.81 -54 2 6 1 61 391.513 7
Mid Mid (pH 6-8) 2.39 5.88 -12.27 1 6 0 60 390.505 7

Activity (Go SEA)

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