UCSF

ZINC11329358

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2007 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) 3.72 -3.11 -12.72 3 5 0 73 406.483 7
Mid Mid (pH 6-8) 3.72 -2.87 -39.06 4 5 1 74 407.491 7

Activity (Go SEA)

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