UCSF

ZINC06753270

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 31 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) 3.66 5.75 -13.83 3 7 0 99 421.497 7
Hi High (pH 8-9.5) 3.66 6.56 -38.94 2 7 -1 102 420.489 7

Activity (Go SEA)

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