UCSF

ZINC06196128

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 28 No

Other Names:

MFCD02950162

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) 2.18 2.91 -14.33 3 8 0 115 384.436 7
Lo Low (pH 4.5-6) 2.18 3.24 -58.66 4 8 1 117 385.444 7

Activity (Go SEA)

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