UCSF

ZINC23253441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 19 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) 2.11 8.24 -79.31 2 4 2 26 260.385 4
Hi High (pH 8-9.5) 2.11 5.5 -9.29 0 4 0 24 258.369 4
Mid Mid (pH 6-8) 2.11 7.83 -39.49 1 4 1 25 259.377 4
Mid Mid (pH 6-8) 2.11 5.91 -27.16 1 4 1 25 259.377 4
Mid Mid (pH 6-8) 2.11 8.46 -95.23 2 4 2 26 260.385 4

Activity (Go SEA)

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