UCSF

ZINC37839450

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.74 8.04 -22.48 0 5 0 58 268.357 5
Hi High (pH 8-9.5) 1.48 6.91 -61.55 0 5 -1 64 267.349 4

Activity (Go SEA)

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