UCSF

ZINC08715389

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 25 Yes

Other Names:

MFCD06097318

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) 2.70 -4.21 -16.01 1 7 0 90 421.276 7
Lo Low (pH 4.5-6) 2.70 -4.56 -38.05 2 7 1 91 422.284 7

Activity (Go SEA)

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