UCSF

ZINC28047670

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 18 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) 2.96 4.69 -49.04 0 4 -1 61 281.382 3
Lo Low (pH 4.5-6) 2.96 4.58 -12.13 1 4 0 59 282.39 3

Activity (Go SEA)

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