UCSF

ZINC00066583

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 Yes

Other Names:

MFCD00502747

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) 4.07 9.16 -7.75 2 3 0 44 328.213 3
Lo Low (pH 4.5-6) 4.07 9.28 -31.8 3 3 1 45 329.221 3

Activity (Go SEA)

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