UCSF

ZINC37308765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.58 8.48 -49.99 1 5 -1 78 278.357 8
Lo Low (pH 4.5-6) 2.58 6.5 -12.89 2 5 0 75 279.365 8

Activity (Go SEA)

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