UCSF

ZINC37130664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 20 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) 3.11 4.99 -8.89 2 4 0 50 271.364 2
Lo Low (pH 4.5-6) 3.11 5.38 -34.21 3 4 1 51 272.372 2

Activity (Go SEA)

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