UCSF

ZINC42579930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 3.63 6.53 -40.19 3 2 1 31 241.443 10
Hi High (pH 8-9.5) 3.63 7.58 -26.4 3 2 1 30 241.443 10
Mid Mid (pH 6-8) 3.63 7.95 -118.53 4 2 2 32 242.451 10

Activity (Go SEA)

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