UCSF

ZINC70549352

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2011 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) 3.68 7.06 -36.39 4 4 1 65 307.487 5
Mid Mid (pH 6-8) 3.68 6.94 -12.2 3 4 0 64 306.479 5

Activity (Go SEA)

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