UCSF

ZINC16735218

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 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) 3.08 11.13 -70.6 1 8 0 104 454.523 11
Mid Mid (pH 6-8) 3.53 10.02 -58.23 2 8 1 101 455.531 10
Mid Mid (pH 6-8) 2.50 11.05 -54.17 1 8 1 98 455.531 11

Activity (Go SEA)

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