UCSF

ZINC23053487

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 32 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) 4.14 10.48 -58.36 3 6 1 80 452.6 9
Hi High (pH 8-9.5) 4.14 8.26 -53.12 1 6 -1 81 450.584 9
Mid Mid (pH 6-8) 4.14 10.56 -80.84 2 6 0 82 451.592 9

Activity (Go SEA)

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