UCSF

ZINC41586605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 25 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 7.96 -52.21 2 6 1 81 366.821 5
Hi High (pH 8-9.5) 3.13 8.53 -34.29 1 6 0 84 365.813 5
Mid Mid (pH 6-8) 3.13 5.71 -11.91 1 6 0 80 365.813 5

Activity (Go SEA)

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