UCSF

ZINC08985011

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 39 No

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) 6.78 1.56 -13.31 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.96 1.69 -13.93 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.96 3.03 -20.11 0 6 0 74 527.592 9
Mid Mid (pH 6-8) 6.78 1.56 -16.48 0 6 0 74 527.592 9

Activity (Go SEA)

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