UCSF

ZINC33771988

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 36 No

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) 1.90 9.51 -50.29 4 8 0 135 492.572 5
Hi High (pH 8-9.5) 1.90 7.54 -57.1 3 8 -1 130 491.564 5
Mid Mid (pH 6-8) 1.90 8.49 -55.74 3 8 -1 130 491.564 5

Activity (Go SEA)

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