UCSF

ZINC62178641

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 35 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) -0.08 6.7 -55.35 6 11 0 173 502.597 12
Hi High (pH 8-9.5) -0.08 6.4 -58.06 5 11 -1 171 501.589 12

Activity (Go SEA)

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