UCSF

ZINC37079691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 1.51 6.76 -108.19 4 3 2 35 275.44 6
Hi High (pH 8-9.5) 1.51 6.05 -34.13 3 3 1 34 274.432 6
Mid Mid (pH 6-8) 1.51 4.56 -1.64 2 3 0 32 273.424 6
Mid Mid (pH 6-8) 1.51 6.94 -115.59 4 3 2 35 275.44 6
Mid Mid (pH 6-8) 1.51 6.58 -27.96 3 3 1 34 274.432 6

Activity (Go SEA)

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