UCSF

ZINC25560573

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 19 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) 3.74 6.1 -7.51 2 4 0 62 339.214 3
Hi High (pH 8-9.5) 3.26 6.03 -114.84 0 4 -2 71 337.198 3
Mid Mid (pH 6-8) 3.74 6.95 -46.16 1 4 -1 65 338.206 3

Activity (Go SEA)

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