UCSF

ZINC71377314

Substance Information

In ZINC since Heavy atoms Benign functionality
December 5th, 2011 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) 1.05 2.31 -41.5 2 4 1 32 256.414 7
Hi High (pH 8-9.5) 1.05 0.96 -2.53 1 4 0 28 255.406 7
Mid Mid (pH 6-8) 1.05 3.21 -34.44 2 4 1 29 256.414 7
Mid Mid (pH 6-8) 1.05 4.57 -117.95 3 4 2 34 257.422 7
Lo Low (pH 4.5-6) 1.05 6.82 -214.91 4 4 3 35 258.43 7
Lo Low (pH 4.5-6) 1.05 5.48 -87.3 3 4 2 30 257.422 7

Activity (Go SEA)

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