UCSF

ZINC34960425

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 0.56 3.97 -92.18 4 3 2 35 215.385 9
Hi High (pH 8-9.5) 0.56 1.86 -41.33 3 3 1 34 214.377 9

Activity (Go SEA)

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