UCSF

ZINC35725447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 4.05 7.85 -26.01 1 7 0 92 511.398 5
Hi High (pH 8-9.5) 4.24 6.1 -42.29 0 7 -1 99 510.39 5

Activity (Go SEA)

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