UCSF

ZINC32210163

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.17 9.05 -37.56 2 2 1 20 361.101 4
Hi High (pH 8-9.5) 4.17 6.65 -3.51 1 2 0 19 360.093 4

Activity (Go SEA)

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