UCSF

ZINC37112863

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.60 4.4 -97.21 4 3 2 41 218.385 9
Mid Mid (pH 6-8) 1.60 4.95 -37.82 3 3 1 44 217.377 9

Activity (Go SEA)

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