UCSF

ZINC06379930

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 31 No

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) 3.69 9.43 -67.39 0 6 -1 79 420.485 8
Lo Low (pH 4.5-6) 3.69 8.67 -16.99 1 6 0 76 421.493 8

Activity (Go SEA)

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