UCSF

ZINC36871653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) -0.99 -0.73 -43.18 4 5 1 77 188.251 4
Hi High (pH 8-9.5) -0.99 -1.03 -12.35 3 5 0 75 187.243 4

Activity (Go SEA)

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