UCSF

ZINC34005789

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 25 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) 3.44 11.59 -39.43 2 3 1 33 334.418 3
Hi High (pH 8-9.5) 3.44 9.18 -7.18 1 3 0 32 333.41 3
Lo Low (pH 4.5-6) 3.44 12.07 -90.23 3 3 2 34 335.426 3

Activity (Go SEA)

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