UCSF

ZINC23625530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2009 21 No

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) 1.25 6.19 -27.15 1 8 0 104 307.335 4
Mid Mid (pH 6-8) 1.32 5.29 -47.09 0 8 -1 110 306.327 4

Activity (Go SEA)

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