UCSF

ZINC01117974

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 34 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) 4.58 11.35 -15.61 1 6 0 80 471.534 8
Mid Mid (pH 6-8) 4.00 11.99 -22.12 0 6 0 77 471.534 8

Activity (Go SEA)

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