UCSF

ZINC37237425

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) 1.37 6.3 -52.17 2 5 1 52 278.376 9
Hi High (pH 8-9.5) 1.37 4.94 -12.49 1 5 0 48 277.368 9
Lo Low (pH 4.5-6) 1.37 6.74 -100.06 3 5 2 54 279.384 9

Activity (Go SEA)

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