UCSF

ZINC21704488

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 32 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) 3.01 4.69 -25.2 1 9 0 105 473.58 7
Hi High (pH 8-9.5) 2.82 3.79 -50.71 0 9 -1 111 472.572 7
Lo Low (pH 4.5-6) 3.01 6.85 -63.65 2 9 1 106 474.588 7

Activity (Go SEA)

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