UCSF

ZINC37098096

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) 0.75 3.34 -100.87 4 3 2 35 213.369 4
Hi High (pH 8-9.5) 0.75 3.29 -33.2 3 3 1 34 212.361 4
Hi High (pH 8-9.5) 0.75 0.91 -43.96 3 3 1 34 212.361 4
Lo Low (pH 4.5-6) 0.75 5.12 -213.78 5 3 3 37 214.377 4

Activity (Go SEA)

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