UCSF

ZINC36891587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 21 Yes

Other Names:

MFCD13463496

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) 4.47 6.63 -8.46 2 4 0 59 305.761 6
Hi High (pH 8-9.5) 4.47 7.39 -45.44 1 4 -1 61 304.753 6

Activity (Go SEA)

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