UCSF

ZINC35021808

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -0.18 2.35 -17.08 1 7 0 70 307.379 3
Mid Mid (pH 6-8) -0.18 4.7 -55.09 2 7 1 71 308.387 3

Activity (Go SEA)

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