UCSF

ZINC31917849

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 Yes

Other Names:

MFCD05189150

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) 2.77 6.33 -41.18 2 3 1 29 269.368 4
Hi High (pH 8-9.5) 2.77 4.93 -5.28 1 3 0 24 268.36 4

Activity (Go SEA)

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