UCSF

ZINC59909501

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 31 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) 4.96 9.28 -54.87 1 6 -1 90 456.975 6
Mid Mid (pH 6-8) 4.96 9.08 -16.23 2 6 0 88 457.983 6

Activity (Go SEA)

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