UCSF

ZINC38031354

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 19 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) -1.42 -0.26 -46.35 3 7 1 75 273.357 7
Hi High (pH 8-9.5) -1.42 -2.45 -17.46 2 7 0 74 272.349 7
Mid Mid (pH 6-8) -1.42 1.04 -108.07 4 7 2 80 274.365 7

Activity (Go SEA)

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