UCSF

ZINC08739781

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 25 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) 2.25 3.6 -19.84 2 7 0 85 346.431 7
Ref Reference (pH 7) 2.43 6.25 -18.06 2 7 0 82 346.431 7

Activity (Go SEA)

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