UCSF

ZINC08764200

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 14 Yes

Other Names:

F2124-0230

MFCD08692067

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) 1.04 4.13 -64.61 0 4 -1 66 187.178 1
Lo Low (pH 4.5-6) 1.04 4.41 -60.38 1 4 0 67 188.186 1

Activity (Go SEA)

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