UCSF

ZINC17027232

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2008 29 No

Other Names:

MFCD01032036

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) 4.64 11.38 -59.83 0 4 -1 60 386.402 4
Mid Mid (pH 6-8) 4.64 11.26 -12.88 1 4 0 58 387.41 4
Mid Mid (pH 6-8) 4.06 11.59 -12.8 0 4 0 54 387.41 4

Activity (Go SEA)

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