UCSF

ZINC44650602

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 1.02 4.23 -40.41 2 4 1 40 242.387 6
Hi High (pH 8-9.5) 1.02 2.86 -6.96 1 4 0 36 241.379 6
Hi High (pH 8-9.5) 1.02 5.07 -44.35 2 4 1 37 242.387 6
Mid Mid (pH 6-8) 1.02 6.44 -98.79 3 4 2 41 243.395 6

Activity (Go SEA)

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