UCSF

ZINC32106110

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 5.94 11.11 -8.16 0 1 0 13 269.347 1
Mid Mid (pH 6-8) 5.94 11.47 -24.82 1 1 1 14 270.355 1

Activity (Go SEA)

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