UCSF

ZINC00037811

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 Yes

Other Names:

MFCD02736278

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) 3.08 9.84 -14.21 0 4 0 44 280.327 5
Lo Low (pH 4.5-6) 3.08 10.24 -40.54 1 4 1 45 281.335 5

Activity (Go SEA)

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