UCSF

ZINC49478481

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 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) 0.17 3.61 -49.53 2 4 0 60 200.282 6
Hi High (pH 8-9.5) 0.17 4.74 -59.69 2 4 0 57 200.282 6
Mid Mid (pH 6-8) 0.17 6.06 -108.05 3 4 1 61 201.29 6

Activity (Go SEA)

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