UCSF

ZINC41586188

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) 4.72 12.08 -50.71 2 6 1 81 436.528 6
Hi High (pH 8-9.5) 4.72 9.82 -11.08 1 6 0 80 435.52 6
Mid Mid (pH 6-8) 4.72 12.84 -36.04 1 6 0 84 435.52 6

Activity (Go SEA)

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