UCSF

ZINC44722768

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) 0.13 3.58 -47.57 2 4 0 60 198.266 5
Hi High (pH 8-9.5) 0.13 2.39 -42.51 1 4 -1 55 197.258 5
Mid Mid (pH 6-8) 0.13 4.7 -57.83 2 4 0 57 198.266 5
Mid Mid (pH 6-8) 0.13 5.88 -101.04 3 4 1 61 199.274 5

Activity (Go SEA)

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