UCSF

ZINC16212977

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 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) 2.86 8.31 -20.61 1 8 0 98 463.486 10
Mid Mid (pH 6-8) 2.28 9.16 -30.04 0 8 0 95 463.486 10

Activity (Go SEA)

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