UCSF

ZINC37025328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) 2.44 4.21 -44.84 3 3 1 54 186.275 4
Hi High (pH 8-9.5) 2.44 4.4 -3.53 2 3 0 52 185.267 4

Activity (Go SEA)

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