UCSF

ZINC43251856

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) 1.84 0.71 -53.16 4 4 1 60 288.824 4
Hi High (pH 8-9.5) 1.84 0.41 -6.67 3 4 0 58 287.816 4
Mid Mid (pH 6-8) 1.84 3.22 -43.48 4 4 1 60 288.824 4
Mid Mid (pH 6-8) 1.84 3.63 -134.14 5 4 2 61 289.832 4

Activity (Go SEA)

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