UCSF

ZINC09046412

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 32 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) 1.82 8.53 -68.11 2 9 0 120 443.5 10
Mid Mid (pH 6-8) 1.24 9.02 -49.73 2 9 1 114 444.508 10
Mid Mid (pH 6-8) 2.27 9.13 -48 3 9 1 117 444.508 9

Activity (Go SEA)

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