UCSF

ZINC14681129

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2008 18 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) 1.70 0.69 -58.09 2 3 -1 64 251.346 1
Mid Mid (pH 6-8) 1.70 0.13 -7.15 3 3 0 61 252.354 1

Activity (Go SEA)

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