UCSF

ZINC40576223

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 32 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) 4.99 3.13 -12.78 4 7 0 116 440.492 4
Hi High (pH 8-9.5) 4.99 4.15 -54.91 3 7 -1 119 439.484 4

Activity (Go SEA)

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