UCSF

ZINC32267730

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 24 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) 3.01 5.63 -8.6 1 4 0 42 344.377 6
Mid Mid (pH 6-8) 3.01 7.66 -46.67 2 4 1 43 345.385 6

Activity (Go SEA)

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