UCSF

ZINC33358775

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2009 13 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) 0.32 2.76 -24.81 6 5 1 91 182.251 2
Mid Mid (pH 6-8) 0.32 2.31 -6.95 5 5 0 90 181.243 2

Activity (Go SEA)

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