UCSF

ZINC34681169

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.13 9.27 -46.08 3 9 1 97 460.514 4
Mid Mid (pH 6-8) 3.13 8.95 -15.69 2 9 0 96 459.506 4

Activity (Go SEA)

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