UCSF

ZINC20596096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 19 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) 1.16 3.17 -43.43 3 3 1 34 260.405 3
Lo Low (pH 4.5-6) 1.16 5.36 -108.93 4 3 2 35 261.413 3
Lo Low (pH 4.5-6) 1.16 7.69 -199.21 5 3 3 37 262.421 3

Activity (Go SEA)

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