UCSF

ZINC36877207

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.09 5.9 -42.23 3 3 1 45 216.308 3
Hi High (pH 8-9.5) 2.09 4.5 -9.54 2 3 0 41 215.3 3
Hi High (pH 8-9.5) 2.09 4.47 -6.97 2 3 0 41 215.3 3

Activity (Go SEA)

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