UCSF

ZINC08771941

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 26 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) 2.39 2.6 -20.34 3 7 0 94 358.442 4
Ref Reference (pH 7) 2.57 5.26 -18.56 3 7 0 91 358.442 4

Activity (Go SEA)

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