UCSF

ZINC66182771

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 23 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) 5.34 10.66 -4.17 1 3 0 24 312.457 10
Lo Low (pH 4.5-6) 5.34 10.75 -19.51 2 3 0 26 313.465 10
Lo Low (pH 4.5-6) 5.34 11.25 -37.18 2 3 1 29 313.465 10

Activity (Go SEA)

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