UCSF

ZINC08845296

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 33 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) 4.87 8.8 -15.63 2 7 0 88 449.551 11
Mid Mid (pH 6-8) 4.87 9.57 -55.93 1 7 -1 91 448.543 11

Activity (Go SEA)

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