UCSF

ZINC00888449

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2004 25 Yes

Other Names:

MFCD01809338

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) 3.40 4.81 -35.97 4 6 1 88 358.443 4
Mid Mid (pH 6-8) 3.40 4.41 -13.4 3 6 0 86 357.435 4

Activity (Go SEA)

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