UCSF

ZINC37208912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.61 7.85 -74.56 3 3 2 21 271.493 7
Hi High (pH 8-9.5) 2.61 5.93 -33.39 2 3 1 20 270.485 7
Lo Low (pH 4.5-6) 2.61 9.04 -181.29 4 3 3 25 272.501 7

Activity (Go SEA)

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