UCSF

ZINC34319973

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 18 No

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) 1.37 8.37 -102.96 0 7 -2 126 251.194 6
Lo Low (pH 4.5-6) 1.37 6.49 -41.99 1 7 -1 123 252.202 6

Activity (Go SEA)

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