UCSF

ZINC36471842

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 27 No

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) 4.49 15.05 -38.61 1 2 1 9 385.503 4
Mid Mid (pH 6-8) 4.49 12.96 -6.29 0 2 0 8 384.495 4

Activity (Go SEA)

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