UCSF

ZINC13002712

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) -1.49 2.51 -27.12 4 8 0 121 293.327 5
Mid Mid (pH 6-8) -1.49 2.35 -61.79 5 8 1 122 294.335 5
Mid Mid (pH 6-8) -1.49 2.59 -58.16 5 8 1 122 294.335 5

Activity (Go SEA)

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