UCSF

ZINC09464862

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 31 No

Other Names:

MFCD03779701

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 6.46 -49.16 1 7 -1 99 444.891 10
Mid Mid (pH 6-8) 3.15 4.93 -30.6 2 7 0 96 445.899 9

Activity (Go SEA)

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