UCSF

ZINC37309411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 2.56 9.41 -90.23 1 5 0 62 275.352 5
Hi High (pH 8-9.5) 2.56 6.93 -54.52 0 5 -1 61 274.344 5
Lo Low (pH 4.5-6) 2.56 9.85 -110.01 2 5 1 64 276.36 5

Activity (Go SEA)

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