UCSF

ZINC43248032

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.10 6.1 -42.31 3 3 1 44 302.467 4
Hi High (pH 8-9.5) 2.10 7.45 -32.89 3 3 1 43 302.467 4
Hi High (pH 8-9.5) 2.10 5.72 -3.85 2 3 0 42 301.459 4
Lo Low (pH 4.5-6) 2.10 6.72 -95.59 4 3 2 45 303.475 4

Activity (Go SEA)

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