UCSF

ZINC36797575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.30 5.25 -41.29 4 3 1 51 261.32 4
Hi High (pH 8-9.5) 2.30 2.89 -6.22 3 3 0 49 260.312 4

Activity (Go SEA)

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