UCSF

ZINC08706111

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 26 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) 1.86 3.67 -18.24 0 9 0 92 361.402 5
Mid Mid (pH 6-8) 1.86 3.94 -38.04 1 9 1 93 362.41 5

Activity (Go SEA)

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