UCSF

ZINC61687168

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2011 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) 4.18 6.99 -35.19 2 2 1 26 216.389 9

Activity (Go SEA)

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