UCSF

ZINC36092105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 23 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) 4.05 7.05 -16.15 2 7 0 108 354.149 4
Mid Mid (pH 6-8) 4.05 8.04 -42.66 1 7 -1 110 353.141 4

Activity (Go SEA)

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