UCSF

ZINC02870665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 17 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) 1.32 3.66 -47.28 1 5 -1 86 256.303 6
Lo Low (pH 4.5-6) 1.32 1.69 -12.78 2 5 0 83 257.311 6

Activity (Go SEA)

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