UCSF

ZINC45664177

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.83 4.94 -90.52 4 3 2 35 243.439 7
Hi High (pH 8-9.5) 1.83 6.32 -107.64 4 3 2 35 243.439 7
Hi High (pH 8-9.5) 1.83 2.45 -44.05 3 3 1 34 242.431 7
Mid Mid (pH 6-8) 1.83 6.67 -199.45 5 3 3 37 244.447 7
Mid Mid (pH 6-8) 1.83 4.21 -110.28 4 3 2 35 243.439 7

Activity (Go SEA)

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