UCSF

ZINC37115532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 3.49 8.04 -49.37 1 3 -1 52 262.235 4
Lo Low (pH 4.5-6) 3.49 6.04 -8.83 2 3 0 49 263.243 4

Activity (Go SEA)

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