UCSF

ZINC24081451

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 37 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) 3.66 8.69 -59.51 0 8 -1 91 505.591 11
Mid Mid (pH 6-8) 3.66 11.02 -78.53 1 8 0 93 506.599 11

Activity (Go SEA)

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