UCSF

ZINC21638387

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 25 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) 1.42 8.44 -88.76 3 7 2 67 350.511 8
Hi High (pH 8-9.5) 1.42 3.83 -9.61 1 7 0 65 348.495 8
Mid Mid (pH 6-8) 1.42 6.06 -45.08 2 7 1 66 349.503 8

Activity (Go SEA)

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