UCSF

ZINC36300594

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 18 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) 1.71 4.14 -45.23 2 3 1 29 253.341 4
Mid Mid (pH 6-8) 1.71 6.43 -113.82 3 3 2 30 254.349 4

Activity (Go SEA)

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