UCSF

ZINC37292928

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) 3.10 5.86 -8.86 3 3 0 55 302.805 6
Lo Low (pH 4.5-6) 3.10 6.91 -49.84 4 3 1 60 303.813 6

Activity (Go SEA)

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