UCSF

ZINC15952206

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 34 No

Other Names:

MFCD03016802

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) 2.64 6.4 -60.48 0 8 -1 91 465.526 9
Mid Mid (pH 6-8) 2.64 8.65 -78.14 1 8 0 93 466.534 9

Activity (Go SEA)

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