UCSF

ZINC37078553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 28 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) 3.36 8.3 -11.81 1 6 0 62 405.495 6
Lo Low (pH 4.5-6) 3.36 10.45 -44.76 2 6 1 63 406.503 6

Activity (Go SEA)

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