UCSF

ZINC42409465

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 12 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) 1.74 4.32 -35.52 2 2 1 20 173.324 7
Hi High (pH 8-9.5) 1.74 2.96 -0.47 1 2 0 15 172.316 7
Mid Mid (pH 6-8) 1.74 4.61 -28.37 2 2 1 16 173.324 7
Mid Mid (pH 6-8) 1.74 5.98 -104.01 3 2 2 21 174.332 7

Activity (Go SEA)

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