UCSF

ZINC44687137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 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) 1.47 6.27 -35.64 2 4 1 35 289.399 4
Hi High (pH 8-9.5) 1.47 3.87 -4.54 1 4 0 34 288.391 4
Lo Low (pH 4.5-6) 1.47 4.91 -40.51 2 4 1 38 289.399 4

Activity (Go SEA)

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