UCSF

ZINC06162517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2006 28 No

Other Names:

MFCD02950147

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) 2.32 3.1 -14.08 3 8 0 115 384.436 8
Lo Low (pH 4.5-6) 2.32 3.43 -58.52 4 8 1 117 385.444 8

Activity (Go SEA)

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