UCSF

ZINC00195161

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Other Names:

MFCD00770221

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) 2.54 5.91 -7.71 1 2 0 33 177.247 1
Lo Low (pH 4.5-6) 2.06 5.26 -28.85 1 2 1 31 178.255 1
Lo Low (pH 4.5-6) 2.06 5.27 -29 1 2 1 31 178.255 1

Activity (Go SEA)

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