UCSF

ZINC45190096

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 4.56 6.07 -12.71 2 4 0 59 285.343 4
Hi High (pH 8-9.5) 4.56 7.08 -57.64 1 4 -1 61 284.335 4

Activity (Go SEA)

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