UCSF

ZINC36984652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.33 10.76 -56.15 0 4 -1 58 297.359 4
Mid Mid (pH 6-8) 3.33 11.11 -49.29 1 4 0 59 298.367 4

Activity (Go SEA)

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