UCSF

ZINC04116991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 21 No

Other Names:

MFCD00841612

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) 4.35 10.68 -11.22 0 4 0 59 276.295 3
Lo Low (pH 4.5-6) 4.35 11 -40.16 1 4 1 60 277.303 3

Activity (Go SEA)

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