UCSF

ZINC09135487

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 27 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) 3.89 9.11 -54.72 0 5 -1 70 427.274 6
Mid Mid (pH 6-8) 3.89 8.92 -10.46 1 5 0 67 428.282 6
Mid Mid (pH 6-8) 3.30 0.26 -10.45 0 5 0 63 428.282 6

Activity (Go SEA)

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