UCSF

ZINC37008602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 15 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) 0.98 1.43 -13.41 2 5 0 75 204.185 2
Mid Mid (pH 6-8) 1.43 -1.19 -49.2 1 5 -1 78 203.177 2

Activity (Go SEA)

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