UCSF

ZINC36213670

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 35 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) 4.50 15.52 -59.21 1 8 1 91 493.971 5
Mid Mid (pH 6-8) 4.50 13.28 -16.05 0 8 0 90 492.963 5

Activity (Go SEA)

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