UCSF

ZINC36149982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.44 3.9 -11.04 2 5 0 71 351.2 3
Hi High (pH 8-9.5) 2.35 3.22 -57.07 1 5 -1 74 350.192 3

Activity (Go SEA)

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