UCSF

ZINC37094348

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 1.70 0.1 -9.74 3 5 0 84 258.343 5
Hi High (pH 8-9.5) 1.70 0.86 -43.01 2 5 -1 86 257.335 5

Activity (Go SEA)

Rings

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