UCSF

ZINC27994894

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 26 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) 1.51 2.67 -15.58 3 8 0 113 352.35 4
Hi High (pH 8-9.5) 1.97 1.86 -49.34 2 8 -1 116 351.342 4

Activity (Go SEA)

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