UCSF

ZINC02270953

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 28 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) 5.56 3.84 -10.86 0 4 0 62 388.492 7
Lo Low (pH 4.5-6) 5.56 3.98 -36.27 1 4 1 64 389.5 7

Activity (Go SEA)

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