UCSF

ZINC02156084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 29 No

Other Names:

MFCD02953651

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) 4.98 9.35 -49.04 1 7 -1 104 431.877 7
Ref Reference (pH 7) 4.98 9.76 -48.99 1 7 -1 104 431.877 7
Mid Mid (pH 6-8) 4.49 8.43 -90.7 0 7 -2 103 430.869 8

Activity (Go SEA)

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