UCSF

ZINC37257960

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 0.14 0.91 -47.03 4 5 1 78 233.295 5
Hi High (pH 8-9.5) 0.14 -0.6 -6.93 3 5 0 74 232.287 5

Activity (Go SEA)

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