UCSF

ZINC34991093

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 1.72 4.33 -37.72 2 4 1 38 253.366 8
Mid Mid (pH 6-8) 1.72 5.44 -35.63 2 4 1 35 253.366 8

Activity (Go SEA)

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