UCSF

ZINC16599705

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 27 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) 3.28 8.47 -47.53 3 6 1 72 370.473 9
Mid Mid (pH 6-8) 3.28 5.94 -12.21 2 6 0 71 369.465 9

Activity (Go SEA)

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