UCSF

ZINC00717758

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 29 No

Other Names:

MFCD02934750

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) 4.71 -0.02 -11.17 1 4 0 57 423.921 6
Mid Mid (pH 6-8) 4.13 -0.2 -14.91 0 4 0 54 423.921 6

Activity (Go SEA)

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