UCSF

ZINC36504205

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 29 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) 6.21 12.59 -9.38 1 5 0 63 404.595 13

Activity (Go SEA)

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