UCSF

ZINC37823020

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) -0.62 5.26 -84.2 3 5 2 56 224.308 5
Hi High (pH 8-9.5) -0.62 3.53 -17.21 1 5 0 50 222.292 5
Mid Mid (pH 6-8) -0.62 4.83 -43.69 2 5 1 55 223.3 5

Activity (Go SEA)

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