UCSF

ZINC36236071

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.26 0.06 -51.23 4 6 1 84 267.305 4
Hi High (pH 8-9.5) 1.26 -1.4 -11.7 3 6 0 80 266.297 4
Hi High (pH 8-9.5) 1.26 -0.4 -58.73 2 6 -1 83 265.289 4

Activity (Go SEA)

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