UCSF

ZINC06361947

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 25 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) 1.59 3.4 -53.97 2 8 -1 107 380.475 9
Lo Low (pH 4.5-6) 1.59 3.84 -19.42 3 8 0 105 381.483 9

Activity (Go SEA)

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