UCSF

ZINC32104399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) 1.65 4.31 -8.21 0 4 0 39 249.31 5
Mid Mid (pH 6-8) 1.65 6.63 -47.51 1 4 1 40 250.318 5

Activity (Go SEA)

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