UCSF

ZINC23065997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 11 No

Other Names:

MFCD28126058

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) -1.41 0.98 -39.67 3 4 1 65 157.193 2
Hi High (pH 8-9.5) -1.41 0.67 -8.22 2 4 0 63 156.185 2

Activity (Go SEA)

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