UCSF

ZINC36617171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 4.12 12.32 -43.92 0 9 -1 130 422.417 8
Mid Mid (pH 6-8) 4.12 11.31 -15.8 1 9 0 127 423.425 8

Activity (Go SEA)

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