UCSF

ZINC36909019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) -0.48 0.04 -16.1 4 6 0 97 211.221 5
Mid Mid (pH 6-8) -0.92 -1.81 -56.29 4 6 1 95 212.229 5

Activity (Go SEA)

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