UCSF

ZINC44424301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 20 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) 1.59 4.32 -45.71 2 5 1 54 302.778 8
Hi High (pH 8-9.5) 1.59 2.97 -7.57 1 5 0 49 301.77 8

Activity (Go SEA)

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