UCSF

ZINC43251747

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 3.61 5.31 -43.06 3 2 1 31 287.88 4
Hi High (pH 8-9.5) 3.61 5 -1.28 2 2 0 29 286.872 4
Mid Mid (pH 6-8) 3.61 7.19 -30.1 3 2 1 30 287.88 4
Mid Mid (pH 6-8) 3.61 7.44 -108.81 4 2 2 32 288.888 4

Activity (Go SEA)

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