UCSF

ZINC34681474

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 2.58 8.88 -15.08 1 6 0 61 405.477 6
Mid Mid (pH 6-8) 2.58 11.1 -45.7 2 6 1 63 406.485 6
Mid Mid (pH 6-8) 2.58 8.88 -41.75 2 6 1 63 406.485 6

Activity (Go SEA)

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