UCSF

ZINC00690181

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 36 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) 2.76 8.77 -23.55 2 9 0 110 506.584 9
Hi High (pH 8-9.5) 2.58 7.53 -55.14 1 9 -1 116 505.576 9

Activity (Go SEA)

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