UCSF

ZINC51521218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2010 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) 2.28 7.86 -40.84 2 4 1 42 278.42 7
Hi High (pH 8-9.5) 2.28 6.61 -4.53 1 4 0 37 277.412 7
Mid Mid (pH 6-8) 2.28 8.34 -97.62 3 4 2 43 279.428 7

Activity (Go SEA)

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