UCSF

ZINC19657200

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 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) 2.53 8.29 -14.73 0 7 0 63 413.566 6
Mid Mid (pH 6-8) 2.53 10.69 -53.83 1 7 1 64 414.574 6

Activity (Go SEA)

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