UCSF

ZINC37321963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.44 6.17 -46.81 2 4 1 53 286.399 5
Lo Low (pH 4.5-6) 2.44 8.66 -116.38 3 4 2 54 287.407 5

Activity (Go SEA)

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