UCSF

ZINC48139892

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2010 27 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) 1.75 10.08 -55.3 2 6 1 70 367.473 3
Hi High (pH 8-9.5) 2.21 8.17 -68.04 1 6 0 74 366.465 3

Activity (Go SEA)

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