UCSF

ZINC35728225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 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) -0.16 1.63 -9.59 3 4 0 58 219.288 2
Mid Mid (pH 6-8) -0.16 2.92 -51.01 4 4 1 63 220.296 2

Activity (Go SEA)

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