UCSF

ZINC44471929

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 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) 1.96 6.27 -104.88 3 2 2 21 174.332 6
Hi High (pH 8-9.5) 1.96 4.03 -0.35 1 2 0 15 172.316 6
Mid Mid (pH 6-8) 1.96 6.17 -27.82 2 2 1 16 173.324 6
Mid Mid (pH 6-8) 1.96 5.06 -32.15 2 2 1 20 173.324 6

Activity (Go SEA)

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