UCSF

ZINC36851089

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.19 3.92 -51.37 2 5 1 63 243.327 7
Hi High (pH 8-9.5) 0.19 2.65 -9.54 1 5 0 59 242.319 7

Activity (Go SEA)

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