UCSF

ZINC00729977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD00693999

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) 6.27 11.32 -7.42 1 5 0 64 390.549 8
Lo Low (pH 4.5-6) 6.27 11.7 -31.98 2 5 1 65 391.557 8

Activity (Go SEA)

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