UCSF

ZINC37267140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 1.91 1.68 -38.41 4 4 1 57 251.35 3
Lo Low (pH 4.5-6) 1.91 2.54 -109.98 5 4 2 61 252.358 3

Activity (Go SEA)

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