UCSF

ZINC05716697

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 19 Yes

Other Names:

MFCD00023116

MFCD00124778

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) 2.00 1.95 -7.88 2 5 0 71 260.293 4
Lo Low (pH 4.5-6) 2.00 3.54 -36.83 3 5 1 73 261.301 4

Activity (Go SEA)

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