UCSF

ZINC03923560

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2005 41 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) 5.37 2.98 -51.16 0 12 -1 141 555.571 13
Mid Mid (pH 6-8) 1.63 3.76 -58.86 1 12 0 143 556.579 13

Activity (Go SEA)

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