UCSF

ZINC36882402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 2.99 6.74 -36.56 2 2 1 29 233.36 4
Hi High (pH 8-9.5) 2.99 5.82 -4.84 1 2 0 25 232.352 4

Activity (Go SEA)

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