UCSF

ZINC37992654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 3.07 8.49 -38.06 2 2 1 29 241.358 5
Hi High (pH 8-9.5) 3.07 7.54 -4.48 1 2 0 25 240.35 5
Lo Low (pH 4.5-6) 3.07 8.99 -102.59 3 2 2 31 242.366 5

Activity (Go SEA)

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