UCSF

ZINC37869547

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 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) 0.07 2.51 -34.69 4 4 1 60 212.317 3
Hi High (pH 8-9.5) 0.07 0.17 -7.86 3 4 0 58 211.309 3
Lo Low (pH 4.5-6) 0.07 2.4 -101.25 5 4 2 64 213.325 3

Activity (Go SEA)

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