UCSF

ZINC05969672

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 28 Yes

Other Names:

MFCD02577611

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) 3.29 10.48 -58.69 1 6 -1 87 390.444 4
Mid Mid (pH 6-8) 3.36 7.41 -150.63 0 6 -2 93 389.436 4

Activity (Go SEA)

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