UCSF

ZINC01840079

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 27 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) 5.49 9.76 -10.43 1 5 0 64 382.485 5
Mid Mid (pH 6-8) 5.00 9.92 -42.85 0 5 -1 63 381.477 6

Activity (Go SEA)

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