UCSF

ZINC36135072

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.90 5.49 -7.56 1 4 0 42 288.391 2
Lo Low (pH 4.5-6) 1.90 6.84 -40.74 2 4 1 46 289.399 2

Activity (Go SEA)

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