UCSF

ZINC03090995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 26 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) 2.62 2.42 -12.9 4 11 0 157 486.084 4
Mid Mid (pH 6-8) 2.62 3.19 -48.51 3 11 -1 160 485.076 4

Activity (Go SEA)

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