UCSF

ZINC15073322

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 28 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) 0.90 2.46 -12.74 2 8 0 90 384.415 6
Mid Mid (pH 6-8) 0.90 3.29 -36.04 3 8 1 92 385.423 6
Mid Mid (pH 6-8) 0.90 5.55 -88.23 4 8 2 93 386.431 6

Activity (Go SEA)

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