UCSF

ZINC34776926

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 26 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) 3.56 9.02 -64.69 2 7 -1 111 367.41 6
Hi High (pH 8-9.5) 3.56 8.82 -114.45 1 7 -2 109 366.402 6

Activity (Go SEA)

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