UCSF

ZINC16729894

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 39 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) 4.99 11.61 -64.61 0 8 -1 97 536.645 13
Mid Mid (pH 6-8) 5.43 10.53 -31.44 1 8 0 95 537.653 12
Mid Mid (pH 6-8) 4.40 11.53 -26.73 0 8 0 91 537.653 13

Activity (Go SEA)

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