UCSF

ZINC00734985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 35 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) 4.18 9.61 -16.82 0 8 0 73 490.947 5
Mid Mid (pH 6-8) 4.18 11.81 -62.99 1 8 1 74 491.955 5

Activity (Go SEA)

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