UCSF

ZINC00247006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 Yes

Other Names:

MFCD03828888

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) 4.94 1.13 -9.58 0 4 0 36 338.451 7
Mid Mid (pH 6-8) 1.54 1.29 -28.08 1 4 1 38 339.459 7

Activity (Go SEA)

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