UCSF

ZINC44686197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 2.18 6.62 -35.59 2 3 1 29 275.416 6
Hi High (pH 8-9.5) 2.18 5.84 -3.13 1 3 0 24 274.408 6
Mid Mid (pH 6-8) 2.18 8.17 -32.49 2 3 1 26 275.416 6

Activity (Go SEA)

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