UCSF

ZINC42205383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 No

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) 0.22 1.6 -55.96 4 6 1 103 196.186 3
Hi High (pH 8-9.5) 0.22 1.21 -9.86 3 6 0 101 195.178 3

Activity (Go SEA)

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