UCSF

ZINC01450580

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 31 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) 4.78 11.2 -59.06 0 6 -1 86 429.477 5
Mid Mid (pH 6-8) 4.20 -0.15 -15.67 0 6 0 80 430.485 5

Activity (Go SEA)

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