UCSF

ZINC67688793

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 30 Yes

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) 2.93 10.26 -50.41 3 6 1 75 406.554 4
Mid Mid (pH 6-8) 2.93 10.59 -76.64 4 6 2 76 407.562 4

Activity (Go SEA)

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