UCSF

ZINC02153665

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 31 Yes

Other Names:

MFCD02953461

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) 6.38 13.18 -10.67 1 4 0 49 429.951 3
Lo Low (pH 4.5-6) 6.38 13.52 -26.61 2 4 1 50 430.959 3

Activity (Go SEA)

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