UCSF

ZINC37856067

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 0.55 2.3 -96.24 4 4 2 51 220.357 9
Hi High (pH 8-9.5) 0.55 2.84 -40.12 3 4 1 53 219.349 9
Hi High (pH 8-9.5) 0.55 1.02 -33 3 4 1 46 219.349 9

Activity (Go SEA)

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