UCSF

ZINC55378956

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 21 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) 1.13 3.08 -7.7 1 6 0 69 286.335 2
Hi High (pH 8-9.5) 1.58 1.3 -44.06 0 6 -1 72 285.327 2

Activity (Go SEA)

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