UCSF

ZINC37051530

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.84 7.54 -46.91 2 4 1 44 286.399 5
Hi High (pH 8-9.5) 1.84 6.16 -7.86 1 4 0 39 285.391 5
Lo Low (pH 4.5-6) 1.84 7.7 -108.56 3 4 2 45 287.407 5

Activity (Go SEA)

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