UCSF

ZINC33591583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 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) 4.33 8.56 -49.31 0 3 -1 53 242.298 2
Mid Mid (pH 6-8) 4.33 8.75 -39.42 1 3 0 54 243.306 2

Activity (Go SEA)

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