UCSF

ZINC34958703

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 13 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) 1.74 3.4 -40.82 3 2 1 31 185.335 4
Lo Low (pH 4.5-6) 1.74 5.28 -104.3 4 2 2 32 186.343 4

Activity (Go SEA)

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