UCSF

ZINC09348631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 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) 2.25 6.19 -39.32 0 10 -1 153 336.309 6
Lo Low (pH 4.5-6) 2.18 7.85 -15.72 1 10 0 147 337.317 6

Activity (Go SEA)

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