UCSF

ZINC40159483

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 29 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) 2.71 6.96 -12.6 1 7 0 73 406.571 6
Mid Mid (pH 6-8) 2.71 9.16 -47.46 2 7 1 74 407.579 6

Activity (Go SEA)

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