UCSF

ZINC41585459

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 No

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) 4.11 9.64 -12.21 1 6 0 70 434.467 4
Mid Mid (pH 6-8) 4.11 10.24 -50.61 0 6 -1 73 433.459 4
Mid Mid (pH 6-8) 4.11 11.9 -40.99 2 6 1 71 435.475 4
Mid Mid (pH 6-8) 4.11 12.46 -30.84 1 6 0 74 434.467 4

Activity (Go SEA)

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