UCSF

ZINC19637052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 23 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) 3.44 7.84 -38.42 1 4 1 26 317.453 3
Hi High (pH 8-9.5) 3.44 5.57 -4.72 0 4 0 25 316.445 3
Mid Mid (pH 6-8) 3.44 7.96 -42.85 1 4 1 26 317.453 3

Activity (Go SEA)

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