UCSF

ZINC00267689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Other Names:

MFCD01166697

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) 1.95 5.32 -9.32 2 5 0 67 231.255 2
Hi High (pH 8-9.5) 1.51 4.71 -34.5 0 5 -1 64 230.247 2

Activity (Go SEA)

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