UCSF

ZINC37817110

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 15 Yes

Other Names:

MFCD12770037

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) -0.63 3.26 -45.19 3 4 1 61 208.285 4
Hi High (pH 8-9.5) -0.63 2.87 -7.59 2 4 0 59 207.277 4
Lo Low (pH 4.5-6) -0.63 2.96 -89.26 4 4 2 62 209.293 4

Activity (Go SEA)

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