UCSF

ZINC41841641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) -1.20 4.71 -28.57 1 4 0 48 212.293 3
Hi High (pH 8-9.5) -1.20 2.69 -46.19 0 4 -1 47 211.285 3

Activity (Go SEA)

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