UCSF

ZINC16953567

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 23 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) 4.25 9.9 -7.22 1 2 0 29 303.405 2
Lo Low (pH 4.5-6) 4.25 11.23 -53.35 2 2 1 34 304.413 2

Activity (Go SEA)

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