UCSF

ZINC70147962

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 20 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) 0.53 3.14 -42.56 5 5 1 87 275.376 2
Mid Mid (pH 6-8) 0.53 3.56 -90.51 6 5 2 88 276.384 2

Activity (Go SEA)

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