UCSF

ZINC42778967

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.10 4.19 -40.96 2 3 1 37 255.285 4
Mid Mid (pH 6-8) 1.10 3.01 -7.34 1 3 0 32 254.277 4

Activity (Go SEA)

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