UCSF

ZINC42778415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 0.75 3 -34.02 2 4 1 37 233.376 10
Hi High (pH 8-9.5) 0.75 0.57 -4.15 1 4 0 36 232.368 10
Mid Mid (pH 6-8) 0.75 4.5 -102.8 3 4 2 38 234.384 10

Activity (Go SEA)

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