UCSF

ZINC69015345

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 2.35 7.6 -43.94 1 4 0 58 222.288 4
Mid Mid (pH 6-8) 2.35 7.14 -47.87 0 4 -1 56 221.28 4

Activity (Go SEA)

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