UCSF

ZINC37464436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 21 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) 0.15 -0.52 -59.75 4 8 -1 145 308.295 5
Hi High (pH 8-9.5) 0.15 -0.47 -109.22 3 8 -2 147 307.287 5

Activity (Go SEA)

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