UCSF

ZINC00723868

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Other Names:

MFCD02971593

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) 2.98 10.75 -11.83 1 9 0 100 407.43 7
Lo Low (pH 4.5-6) 3.16 10.47 -33.96 2 9 1 105 408.438 7

Activity (Go SEA)

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