UCSF

ZINC39343980

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 30 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) 3.97 11.48 -59.08 2 5 1 61 406.502 11
Mid Mid (pH 6-8) 3.97 10.12 -14.99 1 5 0 57 405.494 11

Activity (Go SEA)

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