UCSF

ZINC37053779

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 4.05 4.51 -39.99 2 4 -1 74 364.661 3
Lo Low (pH 4.5-6) 4.05 4.43 -7.25 3 4 0 72 365.669 3

Activity (Go SEA)

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