UCSF

ZINC27083667

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 27 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) 0.10 7.51 -96.5 2 6 0 82 381.354 3
Hi High (pH 8-9.5) 0.10 6.16 -60.68 1 6 -1 77 380.346 3
Mid Mid (pH 6-8) -2.65 6.55 -70.87 3 6 1 85 382.362 2

Activity (Go SEA)

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