UCSF

ZINC69131582

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 27 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) 2.57 9.29 -12.8 0 5 0 41 360.461 3
Mid Mid (pH 6-8) 2.57 11.65 -53.6 1 5 1 43 361.469 3

Activity (Go SEA)

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