UCSF

ZINC19359706

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 29 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) 4.79 11.58 -39.26 1 4 1 26 389.519 7
Mid Mid (pH 6-8) 4.79 11.64 -42.56 1 4 1 26 389.519 7
Mid Mid (pH 6-8) 4.79 9.26 -7.5 0 4 0 25 388.511 7

Activity (Go SEA)

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