UCSF

ZINC13571223

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 35 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) 3.25 10.1 -66.05 0 9 -1 114 475.477 9
Mid Mid (pH 6-8) 3.70 8.77 -18.4 1 9 0 111 476.485 8

Activity (Go SEA)

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