UCSF

ZINC45655252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.19 5.97 -39.23 3 4 1 46 290.431 6
Hi High (pH 8-9.5) 2.19 3.59 -8.43 2 4 0 44 289.423 6
Lo Low (pH 4.5-6) 2.19 4.77 -49.04 3 4 1 49 290.431 6

Activity (Go SEA)

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