UCSF

ZINC23194072

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 27 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) 2.19 7.55 -12.12 1 6 0 53 363.465 5
Lo Low (pH 4.5-6) 2.19 10.26 -92.93 3 6 2 55 365.481 5

Activity (Go SEA)

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