UCSF

ZINC34668635

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.19 11 -44.98 1 5 1 31 428 5
Mid Mid (pH 6-8) 3.19 10.99 -47.25 1 5 1 31 428 5
Mid Mid (pH 6-8) 3.19 13.2 -94.49 2 5 2 32 429.008 5
Mid Mid (pH 6-8) 3.19 8.79 -10.14 0 5 0 30 426.992 5

Activity (Go SEA)

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