UCSF

ZINC37212782

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) -0.70 1.06 -45.9 2 6 1 53 299.439 6
Hi High (pH 8-9.5) -0.70 -0.14 -9.64 1 6 0 48 298.431 6
Mid Mid (pH 6-8) -0.70 4.34 -91.02 3 6 2 50 300.447 6
Lo Low (pH 4.5-6) -0.70 3.35 -123.67 3 6 2 54 300.447 6

Activity (Go SEA)

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