UCSF

ZINC39913968

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 31 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) 3.82 5.33 -10.19 3 7 0 99 439.899 7
Ref Reference (pH 7) 3.82 5.36 -12.95 3 7 0 99 439.899 7
Hi High (pH 8-9.5) 3.82 6.08 -41.01 2 7 -1 102 438.891 7
Mid Mid (pH 6-8) 3.82 6.1 -47.99 2 7 -1 102 438.891 7

Activity (Go SEA)

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