UCSF

ZINC59869786

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 36 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) 5.68 14.56 -46.68 3 7 1 81 511.021 8
Mid Mid (pH 6-8) 5.68 12.32 -8.99 2 7 0 79 510.013 8

Activity (Go SEA)

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