UCSF

ZINC37023696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.64 4.53 -84.9 4 4 2 50 239.363 2
Hi High (pH 8-9.5) 0.82 2.23 -43.95 3 4 1 56 238.355 2

Activity (Go SEA)

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