UCSF

ZINC19938383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 39 No

Other Names:

MFCD03861405

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) 5.14 14.75 -77.35 1 7 0 83 526.633 12
Hi High (pH 8-9.5) 5.14 12.23 -59.09 0 7 -1 82 525.625 12

Activity (Go SEA)

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