UCSF

ZINC08972002

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 28 No

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) 2.62 4.46 -45.04 1 7 -1 100 374.376 4
Lo Low (pH 4.5-6) 2.16 6.9 -11.97 2 7 0 97 375.384 4

Activity (Go SEA)

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