UCSF

ZINC36264752

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 14 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) -0.56 -2.1 -52.28 4 5 1 87 214.27 3
Hi High (pH 8-9.5) -0.56 -2.41 -46.24 3 5 0 89 213.262 3
Mid Mid (pH 6-8) -0.56 -2.42 -9.81 3 5 0 85 213.262 3

Activity (Go SEA)

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