UCSF

ZINC00702933

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 34 No

Other Names:

MFCD04147933

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) 4.86 -0.84 -11.45 1 7 0 100 537.391 5
Mid Mid (pH 6-8) 4.28 -1 -12.64 0 7 0 97 537.391 5

Activity (Go SEA)

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