UCSF

ZINC52294107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) 0.34 1.24 -32.65 3 3 1 38 171.264 3
Mid Mid (pH 6-8) 0.34 2.61 -98.3 4 3 2 42 172.272 3

Activity (Go SEA)

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