UCSF

ZINC45650815

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.07 1.86 -41.69 2 4 1 32 256.414 6
Hi High (pH 8-9.5) 1.07 0.71 -2.55 1 4 0 28 255.406 6
Mid Mid (pH 6-8) 1.07 6.49 -193.34 4 4 3 35 258.43 6
Mid Mid (pH 6-8) 1.07 5.34 -80.33 3 4 2 30 257.422 6
Mid Mid (pH 6-8) 1.07 3.08 -32.11 2 4 1 29 256.414 6
Lo Low (pH 4.5-6) 1.07 4.14 -108.57 3 4 2 34 257.422 6

Activity (Go SEA)

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