UCSF

ZINC00703570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 Yes

Other Names:

MFCD02130039

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) 3.36 11.84 -14.66 1 9 0 100 421.457 8
Lo Low (pH 4.5-6) 3.54 11.83 -35.98 2 9 1 105 422.465 8

Activity (Go SEA)

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