UCSF

ZINC48314830

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 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) 4.70 10.16 -44.9 1 4 1 36 373.473 7
Hi High (pH 8-9.5) 4.70 7.63 -11.9 0 4 0 35 372.465 7

Activity (Go SEA)

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