UCSF

ZINC35151041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 2.03 4.64 -42.78 2 1 1 17 212.141 2
Mid Mid (pH 6-8) 2.03 3.19 -1.8 1 1 0 12 211.133 2

Activity (Go SEA)

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