UCSF

ZINC36892023

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 Yes

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) 0.19 3.48 -52.04 3 5 0 86 220.228 4
Hi High (pH 8-9.5) 0.19 2.23 -51.42 2 5 -1 81 219.22 4
Mid Mid (pH 6-8) 0.19 2.22 -49.56 2 5 -1 81 219.22 4

Activity (Go SEA)

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