UCSF

ZINC20328234

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 16 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) 0.06 0.78 -54.14 4 5 1 73 221.284 3
Hi High (pH 8-9.5) 0.06 0.39 -12.34 3 5 0 71 220.276 3
Mid Mid (pH 6-8) 0.06 0.99 -96.92 5 5 2 74 222.292 3

Activity (Go SEA)

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