UCSF

ZINC21514671

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 21 Yes

Other Names:

MFCD13374314

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) 1.43 -0.71 -17.44 4 6 0 102 308.359 5
Hi High (pH 8-9.5) 1.43 0.04 -52.36 3 6 -1 104 307.351 5

Activity (Go SEA)

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