UCSF

ZINC15936095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 2.80 7.52 -14.27 0 6 0 53 371.481 3
Mid Mid (pH 6-8) 2.80 9.66 -51.93 1 6 1 54 372.489 3

Activity (Go SEA)

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