UCSF

ZINC02380270

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 16 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) 2.06 7.27 -47.02 2 2 1 29 213.304 5
Lo Low (pH 4.5-6) 2.06 7.55 -108.43 3 2 2 31 214.312 5

Activity (Go SEA)

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