UCSF

ZINC44694618

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 1.13 5.24 -69.44 2 6 0 91 330.431 6
Hi High (pH 8-9.5) 1.13 2.79 -46.27 1 6 -1 90 329.423 6
Hi High (pH 8-9.5) 1.13 4.99 -80.71 1 6 -1 93 329.423 6

Activity (Go SEA)

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