UCSF

ZINC15941858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 33 No

Other Names:

MFCD03192950

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) 4.89 7.43 -55.54 0 7 -1 112 479.559 6
Mid Mid (pH 6-8) 4.89 7.11 -17.01 1 7 0 110 480.567 6

Activity (Go SEA)

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