UCSF

ZINC44472222

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2010 14 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) 0.43 3.18 -100.53 3 4 2 40 206.33 9
Hi High (pH 8-9.5) 0.43 0.3 -3.11 1 4 0 34 204.314 9
Mid Mid (pH 6-8) 0.43 1.9 -31.74 2 4 1 35 205.322 9
Mid Mid (pH 6-8) 0.43 1.37 -29.71 2 4 1 38 205.322 9

Activity (Go SEA)

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