UCSF

ZINC37037856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) -1.69 -1.52 -96.41 6 5 2 78 216.329 6
Hi High (pH 8-9.5) -1.69 -3.79 -49.58 5 5 1 77 215.321 6
Mid Mid (pH 6-8) -1.69 -1.51 -112.6 6 5 2 78 216.329 6

Activity (Go SEA)

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