UCSF

ZINC44836184

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 Yes

Other Names:

MFCD18173519

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) 3.14 3.79 -10.55 3 4 0 61 335.201 4
Hi High (pH 8-9.5) 3.14 4.55 -45.2 2 4 -1 64 334.193 4

Activity (Go SEA)

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