UCSF

ZINC37857513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 28 No

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) 3.19 4.85 -9.39 1 6 0 72 381.428 4
Hi High (pH 8-9.5) 3.19 5.43 -41.6 0 6 -1 75 380.42 4
Lo Low (pH 4.5-6) 3.19 7.15 -42.88 2 6 1 73 382.436 4

Activity (Go SEA)

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