UCSF

ZINC44685115

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 2.38 4.83 -35.3 2 2 1 20 197.346 5
Hi High (pH 8-9.5) 2.38 3.81 -0.7 1 2 0 15 196.338 5
Mid Mid (pH 6-8) 2.38 6.14 -30.01 2 2 1 16 197.346 5
Mid Mid (pH 6-8) 2.38 7.15 -103.28 3 2 2 21 198.354 5

Activity (Go SEA)

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