UCSF

ZINC20600427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 Yes

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) 2.97 8.29 -43.84 2 4 1 37 380.503 5
Lo Low (pH 4.5-6) 2.97 8.3 -40.14 2 4 1 37 380.503 5

Activity (Go SEA)

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