UCSF

ZINC16729641

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 4.69 13.44 -69.28 1 6 0 74 464.606 11
Mid Mid (pH 6-8) 5.13 12.35 -52.8 2 6 1 71 465.614 10
Mid Mid (pH 6-8) 4.11 13.33 -52.44 1 6 1 68 465.614 11

Activity (Go SEA)

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