UCSF

ZINC37987333

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 0.93 1.41 -14.66 3 6 0 87 247.254 4
Hi High (pH 8-9.5) 0.93 2.48 -59.19 2 6 -1 90 246.246 4

Activity (Go SEA)

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