UCSF

ZINC05967536

Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2006 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) 4.10 9.95 -20.69 1 6 0 77 383.473 9
Mid Mid (pH 6-8) 4.10 9.81 -45.65 0 6 -1 75 382.465 9

Activity (Go SEA)

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