UCSF

ZINC44510710

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 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) 1.47 5.06 -32.7 2 3 1 29 241.399 3
Hi High (pH 8-9.5) 1.47 5.32 -32.23 2 3 1 26 241.399 3
Lo Low (pH 4.5-6) 1.47 6.47 -100.37 3 3 2 30 242.407 3

Activity (Go SEA)

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