UCSF

ZINC37228700

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.07 9.06 -35.65 2 2 1 16 289.468 5
Hi High (pH 8-9.5) 4.07 6.6 -4.06 1 2 0 15 288.46 5
Lo Low (pH 4.5-6) 4.07 10.26 -116.02 3 2 2 21 290.476 5

Activity (Go SEA)

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