UCSF

ZINC36766034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 5.04 7.75 -6.55 2 3 0 52 343.224 2
Lo Low (pH 4.5-6) 5.04 7.44 -27.31 3 3 1 53 344.232 2

Activity (Go SEA)

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