UCSF

ZINC37052095

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) 2.00 7.19 -8.29 2 3 0 46 341.625 2
Mid Mid (pH 6-8) 2.00 7.49 -48 3 3 1 48 342.633 2
Lo Low (pH 4.5-6) 2.00 7.5 -49.77 3 3 1 48 342.633 2

Activity (Go SEA)

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