UCSF

ZINC37095969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.71 4.06 -96.68 4 3 2 41 218.385 8
Hi High (pH 8-9.5) 1.71 4.62 -35.73 3 3 1 44 217.377 8
Hi High (pH 8-9.5) 1.71 2.81 -31.31 3 3 1 37 217.377 8

Activity (Go SEA)

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