UCSF

ZINC19837737

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 30 Yes

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) 3.67 10.89 -41.79 1 4 1 24 407.626 8
Hi High (pH 8-9.5) 3.67 8.64 -5.24 0 4 0 23 406.618 8
Mid Mid (pH 6-8) 3.67 13.11 -94.29 2 4 2 25 408.634 8
Lo Low (pH 4.5-6) 3.67 15.29 -206.57 3 4 3 26 409.642 8
Lo Low (pH 4.5-6) 3.67 13.05 -116.21 2 4 2 25 408.634 8

Activity (Go SEA)

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