UCSF

ZINC40892420

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 23 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) 3.00 3.37 -49.59 5 5 1 86 315.393 6
Hi High (pH 8-9.5) 3.00 3.03 -7.56 4 5 0 85 314.385 6

Activity (Go SEA)

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