UCSF

ZINC70513619

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.36 1.76 -111.79 4 5 2 75 306.472 8
Mid Mid (pH 6-8) 0.36 -0.49 -43.23 3 5 1 74 305.464 8

Activity (Go SEA)

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