UCSF

ZINC37081338

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 2.93 9.46 -32.18 1 3 0 45 279.336 4
Hi High (pH 8-9.5) 2.93 7.17 -50.26 0 3 -1 43 278.328 4

Activity (Go SEA)

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