UCSF

ZINC42428115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 19 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) 0.76 3.58 -85.63 6 4 2 75 263.385 4
Hi High (pH 8-9.5) 0.76 3.18 -34.59 5 4 1 74 262.377 4

Activity (Go SEA)

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