UCSF

ZINC37000678

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 3.99 5.43 -7.03 2 3 0 41 348.24 4
Lo Low (pH 4.5-6) 3.99 6.26 -46.31 3 3 1 46 349.248 4

Activity (Go SEA)

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