UCSF

ZINC44240609

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) -0.08 -0.04 -48.15 3 5 1 66 203.262 3
Hi High (pH 8-9.5) -0.08 -1.5 -10.45 2 5 0 62 202.254 3

Activity (Go SEA)

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