UCSF

ZINC09008341

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 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) 3.90 12.26 -47.67 0 10 -1 145 510.479 8
Mid Mid (pH 6-8) 3.31 12.46 -17.46 0 10 0 139 511.487 8
Mid Mid (pH 6-8) 4.34 12.12 -22.49 1 10 0 143 511.487 7

Activity (Go SEA)

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