UCSF

ZINC44240570

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) 2.09 0.2 -44.32 3 5 1 64 203.262 4
Hi High (pH 8-9.5) 2.09 -1.26 -6.52 2 5 0 60 202.254 4

Activity (Go SEA)

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