UCSF

ZINC37838742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.93 5.92 -77.07 1 6 0 82 306.428 9
Hi High (pH 8-9.5) 0.93 3.48 -51.25 0 6 -1 81 305.42 9

Activity (Go SEA)

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