UCSF

ZINC37269570

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 0.98 3.07 -43.4 4 5 1 69 252.338 7
Hi High (pH 8-9.5) 0.98 0.82 -11.82 3 5 0 68 251.33 7

Activity (Go SEA)

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