UCSF

ZINC36836915

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) -1.94 0.97 -58.27 3 8 -1 135 268.249 6
Hi High (pH 8-9.5) -1.48 -0.88 -104.6 2 8 -2 138 267.241 6

Activity (Go SEA)

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