UCSF

ZINC51951777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 20 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) 2.17 8.21 -100.01 3 4 2 38 281.444 4
Mid Mid (pH 6-8) 2.17 6.03 -34.81 2 4 1 37 280.436 4

Activity (Go SEA)

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