UCSF

ZINC37823599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 2.60 4.22 -47.31 3 4 1 51 282.452 4
Hi High (pH 8-9.5) 2.60 4.64 -6.08 2 4 0 50 281.444 4
Mid Mid (pH 6-8) 2.60 6.42 -117.01 4 4 2 52 283.46 4
Mid Mid (pH 6-8) 2.60 6.86 -41.75 3 4 1 51 282.452 4

Activity (Go SEA)

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