UCSF

ZINC43238751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 1.63 2.85 -41.77 3 3 1 40 255.407 4
Hi High (pH 8-9.5) 1.63 2.53 -2.75 2 3 0 38 254.399 4
Lo Low (pH 4.5-6) 1.63 5.41 -112 4 3 2 41 256.415 4

Activity (Go SEA)

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