UCSF

ZINC21537962

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 2.06 6.69 -14.24 1 7 0 72 393.491 6
Mid Mid (pH 6-8) 2.06 9.01 -54.73 2 7 1 73 394.499 6

Activity (Go SEA)

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