UCSF

ZINC06599941

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 33 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) 5.43 14.06 -13.7 1 9 0 138 510.3 8
Mid Mid (pH 6-8) 5.62 12.24 -36.96 0 9 -1 144 509.292 8

Activity (Go SEA)

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