UCSF

ZINC12023853

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 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) -3.15 1.36 -47.93 2 8 1 97 376.343 4
Ref Reference (pH 7) -3.15 6.35 -36.07 1 8 0 100 375.335 4

Activity (Go SEA)

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