UCSF

ZINC20240380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 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) -0.28 3.81 -38.74 1 10 0 110 492.598 8
Mid Mid (pH 6-8) -0.28 6.15 -79.31 2 10 1 111 493.606 8

Activity (Go SEA)

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