UCSF

ZINC01290424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 28 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) 6.36 10.4 -47.56 0 4 -1 66 405.524 5
Mid Mid (pH 6-8) 5.90 11.88 -12.43 1 4 0 63 406.532 5
Mid Mid (pH 6-8) 5.90 11.64 -15.7 1 4 0 63 406.532 5

Activity (Go SEA)

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