UCSF

ZINC36466093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 9 Yes

Other Names:

MFCD26097043

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) 1.12 5.25 -43.9 0 2 -1 40 127.163 2
Lo Low (pH 4.5-6) 1.12 3.27 -4.68 1 2 0 37 128.171 2

Activity (Go SEA)

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