UCSF

ZINC16973859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 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) 4.18 7.75 -42.5 0 4 -1 49 361.244 3
Mid Mid (pH 6-8) 4.18 8.18 -18.12 1 4 0 47 362.252 3

Activity (Go SEA)

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