UCSF

ZINC13989200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 3.39 9.77 -7.21 0 2 0 16 306.384 6
Lo Low (pH 4.5-6) 3.39 12.3 -109.23 2 2 2 19 308.4 6

Activity (Go SEA)

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