UCSF

ZINC42444912

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 No

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) 0.11 5.91 -44.75 3 2 1 31 237.392 3
Hi High (pH 8-9.5) 0.11 5.21 -2.36 2 2 0 29 236.384 3
Mid Mid (pH 6-8) 0.11 6.76 -34.52 3 2 1 30 237.392 3
Mid Mid (pH 6-8) 0.11 7.12 -132.81 4 2 2 32 238.4 3

Activity (Go SEA)

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