UCSF

ZINC20412399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 3.12 6.22 -51.45 2 7 1 77 397.451 5
Hi High (pH 8-9.5) 3.12 4.55 -44.72 0 7 -1 78 395.435 5
Mid Mid (pH 6-8) 3.12 6.16 -48.72 2 7 1 77 397.451 5
Mid Mid (pH 6-8) 3.12 3.75 -16.63 1 7 0 75 396.443 5
Mid Mid (pH 6-8) 3.12 6.96 -36.87 1 7 0 79 396.443 5

Activity (Go SEA)

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