UCSF

ZINC45822276

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 23 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) 2.12 5.69 -51.03 4 5 1 78 315.393 8
Hi High (pH 8-9.5) 2.12 4.31 -13.93 3 5 0 74 314.385 8

Activity (Go SEA)

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