UCSF

ZINC29356751

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 25 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) 1.63 5.93 -23.54 2 6 0 84 356.382 4
Hi High (pH 8-9.5) 1.70 5.02 -59.43 1 6 -1 90 355.374 4

Activity (Go SEA)

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