UCSF

ZINC53128340

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 0.12 -0.73 -49.19 4 6 1 86 278.398 4
Mid Mid (pH 6-8) 0.12 -2.14 -8.38 3 6 0 82 277.39 4

Activity (Go SEA)

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