UCSF

ZINC36616785

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 0.97 9.36 -21.54 1 11 0 121 430.476 4
Mid Mid (pH 6-8) 1.04 8.18 -44.63 0 11 -1 128 429.468 4

Activity (Go SEA)

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