UCSF

ZINC44658513

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 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) 1.34 5.56 -58.78 1 5 -1 78 256.322 7
Mid Mid (pH 6-8) 1.34 3.51 -13.06 2 5 0 76 257.33 7

Activity (Go SEA)

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