UCSF

ZINC36746112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 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) 0.83 -2.19 -22.59 4 6 0 109 258.299 4
Hi High (pH 8-9.5) 0.83 -1.18 -67.12 3 6 -1 112 257.291 4

Activity (Go SEA)

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