UCSF

ZINC35458864

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 1.22 7.69 -19.06 1 8 0 82 476.577 7
Mid Mid (pH 6-8) 1.22 9.97 -55.04 2 8 1 83 477.585 7

Activity (Go SEA)

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