UCSF

ZINC52293461

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 15 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) 3.25 4.19 -7.83 2 3 0 49 225.675 2
Hi High (pH 8-9.5) 3.25 5.2 -48.31 1 3 -1 52 224.667 2

Activity (Go SEA)

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