UCSF

ZINC36135384

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 0.61 5.45 -87.61 3 4 2 41 259.419 3
Mid Mid (pH 6-8) 0.61 4.21 -40.97 2 4 1 37 258.411 3

Activity (Go SEA)

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