UCSF

ZINC68946205

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 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) 1.98 5.02 -43.24 3 2 1 31 219.352 6
Mid Mid (pH 6-8) 1.98 6.81 -123.59 4 2 2 32 220.36 6

Activity (Go SEA)

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