UCSF

ZINC35281463

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.69 6.82 -59.3 0 5 -1 64 283.392 6
Mid Mid (pH 6-8) 1.69 9.04 -75.97 1 5 0 65 284.4 6
Lo Low (pH 4.5-6) 1.69 7 -50.05 2 5 1 62 285.408 6

Activity (Go SEA)

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