UCSF

ZINC48664055

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 22 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) -0.03 0.11 -9.85 3 7 0 105 316.26 6
Hi High (pH 8-9.5) 0.15 -0.71 -43.32 2 7 -1 111 315.252 6

Activity (Go SEA)

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