UCSF

ZINC36639581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 30 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) 2.50 6.31 -31.36 3 8 0 128 443.506 5
Hi High (pH 8-9.5) 2.69 3.96 -54.71 2 8 -1 135 442.498 5

Activity (Go SEA)

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