UCSF

ZINC36170715

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.20 1.54 -120.74 4 4 2 39 256.438 3
Hi High (pH 8-9.5) 0.20 1.37 -35.79 3 4 1 37 255.43 3
Mid Mid (pH 6-8) 0.20 4.28 -177.89 5 4 3 40 257.446 3
Mid Mid (pH 6-8) 0.20 2.08 -105.42 4 4 2 39 256.438 3

Activity (Go SEA)

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