UCSF

ZINC36984811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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 0.45 -10.78 1 4 0 56 167.212 2
Mid Mid (pH 6-8) 0.34 2.42 -55.69 2 4 1 57 168.22 2

Activity (Go SEA)

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