UCSF

ZINC36192203

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) -0.59 3.43 -87.51 3 5 2 45 256.394 3
Mid Mid (pH 6-8) -0.59 2.14 -37.5 2 5 1 40 255.386 3
Mid Mid (pH 6-8) -0.59 2.98 -101.12 3 5 2 45 256.394 3
Lo Low (pH 4.5-6) -0.59 5.61 -171.2 4 5 3 46 257.402 3

Activity (Go SEA)

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