UCSF

ZINC37574581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) 3.28 5.57 -38.69 2 4 1 51 382.319 7
Hi High (pH 8-9.5) 3.28 3.52 -6.55 1 4 0 49 381.311 7

Activity (Go SEA)

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