UCSF

ZINC34692010

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 31 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) 4.07 10.43 -11.19 0 5 0 42 422.569 7
Lo Low (pH 4.5-6) 4.07 12.71 -58.66 1 5 1 43 423.577 7

Activity (Go SEA)

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