UCSF

ZINC32301028

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 0.54 5.72 -13.76 0 6 0 57 308.407 3
Lo Low (pH 4.5-6) 0.54 6.17 -41.52 1 6 1 58 309.415 3

Activity (Go SEA)

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