UCSF

ZINC06117945

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 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) 3.84 7.36 -56.97 0 3 -1 52 222.223 1
Mid Mid (pH 6-8) 3.84 6.32 -11.2 1 3 0 50 223.231 1

Activity (Go SEA)

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