UCSF

ZINC16976440

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 31 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) 4.40 12.87 -10.78 1 7 0 77 411.465 5
Ref Reference (pH 7) 4.40 12.07 -18.95 0 7 0 74 411.465 5
Mid Mid (pH 6-8) 4.40 13.08 -37.06 2 7 1 79 412.473 5
Mid Mid (pH 6-8) 4.40 12.4 -47.15 1 7 1 76 412.473 5

Activity (Go SEA)

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