UCSF

ZINC34986681

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 13 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) -0.04 0.22 -51.88 5 4 1 69 184.194 3
Mid Mid (pH 6-8) -0.04 0.43 -7.97 4 4 0 67 183.186 3

Activity (Go SEA)

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