UCSF

ZINC23360580

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 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) 3.41 6.96 -40.51 4 5 1 66 402.946 7
Lo Low (pH 4.5-6) 3.41 8.18 -127.8 5 5 2 70 403.954 7

Activity (Go SEA)

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