UCSF

ZINC34556949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 20 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) 1.33 1.93 -12.35 1 6 0 62 277.324 4
Hi High (pH 8-9.5) 1.33 2.7 -47.11 0 6 -1 65 276.316 4
Mid Mid (pH 6-8) 1.33 4.21 -44.59 2 6 1 63 278.332 4

Activity (Go SEA)

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