UCSF

ZINC34934412

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 26 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) 3.02 4.44 -14.19 1 6 0 70 422.378 6
Hi High (pH 8-9.5) 3.02 3.93 -44.21 0 6 -1 72 421.37 6
Mid Mid (pH 6-8) 3.02 6.66 -49.48 2 6 1 71 423.386 6

Activity (Go SEA)

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