UCSF

ZINC36986247

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.04 4.6 -44.41 2 4 1 44 252.334 4
Hi High (pH 8-9.5) 2.04 3.3 -6.28 1 4 0 40 251.326 4

Activity (Go SEA)

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