UCSF

ZINC02186028

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2004 32 Yes

Other Names:

MFCD01820433

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) 5.99 12.67 -14.02 2 5 0 67 469.006 6
Hi High (pH 8-9.5) 6.18 10.81 -49.15 1 5 -1 74 467.998 6

Activity (Go SEA)

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