UCSF

ZINC04317708

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 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) 1.11 1.65 -10.8 2 5 0 61 233.271 3
Ref Reference (pH 7) 1.11 1.65 -10.88 2 5 0 61 233.271 3
Mid Mid (pH 6-8) 1.11 2.4 -20.77 3 5 0 63 234.279 3
Mid Mid (pH 6-8) 1.11 2.4 -20.8 3 5 0 63 234.279 3

Activity (Go SEA)

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