UCSF

ZINC09114833

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 32 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) 6.43 16.42 -36.64 2 4 0 62 446.978 8
Mid Mid (pH 6-8) 6.43 15.06 -52.78 1 4 -1 57 445.97 8

Activity (Go SEA)

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