UCSF

ZINC28308044

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 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) 3.40 8.57 -59.94 4 4 1 69 335.427 7
Hi High (pH 8-9.5) 3.40 7.42 -17.2 3 4 0 64 334.419 7

Activity (Go SEA)

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