UCSF

ZINC32270058

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) 3.39 8.96 -9.19 0 3 0 39 275.355 2
Lo Low (pH 4.5-6) 3.39 9.31 -34.68 1 3 1 40 276.363 2
Lo Low (pH 4.5-6) 3.39 9.21 -24.29 1 3 1 40 276.363 2

Activity (Go SEA)

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