UCSF

ZINC36136530

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 18 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) 1.79 6.91 -40.51 2 3 1 37 263.386 2
Mid Mid (pH 6-8) 1.79 5.74 -8.09 1 3 0 32 262.378 2

Activity (Go SEA)

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