UCSF

ZINC36878591

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.26 7.62 -46.31 0 4 -1 60 244.27 2
Lo Low (pH 4.5-6) 1.26 5.69 -11.8 1 4 0 58 245.278 2

Activity (Go SEA)

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