UCSF

ZINC37820621

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) -0.48 1.08 -45.11 3 5 1 60 256.37 3
Hi High (pH 8-9.5) -0.48 0.74 -9.27 2 5 0 59 255.362 3
Mid Mid (pH 6-8) -0.48 3.04 -96.26 4 5 2 62 257.378 3

Activity (Go SEA)

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