UCSF

ZINC31258966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 21 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) 1.67 5.3 -10.29 0 4 0 36 321.471 3
Mid Mid (pH 6-8) 1.67 7.56 -43.23 1 4 1 38 322.479 3

Activity (Go SEA)

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