UCSF

ZINC59622494

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 28 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) 4.14 10.35 -51.46 2 6 1 71 388.484 13
Hi High (pH 8-9.5) 4.14 8.99 -12.21 1 6 0 66 387.476 13

Activity (Go SEA)

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